Analytical Standards

TraceCERT® CRMs for quantitative NMR (qNMR)

We offer a set of NIST SRM traceable certified reference materials for use as internal standards in quantitative NMR studies. The offering includes qNMR standards for 1H, 31P and 19F NMR experiments.  

  • Manufactured according to ISO/IEC 17025 and ISO Guide 34
  • Certified Content by quantitative NMR (qNMR)
  • Superior level of accuracy, calculated uncertainties and lot-specific values
  • Traceability to NIST SRM
  • Comprehensive documentation delivered with the product
    (certification according to ISO Guide 31)


Quantitative NMR - Technical Details and TraceCERT® Certified Reference Materials (PDF, 1.5 MB)

Find product tables and spectra for all available qNMR CRMs below:

The tables give an overview of spectral shifts, solubility and relaxation times in different solvents of 16 1H-qNMR standards, 3 31P-qNMR standards and 3 19F-qNMR standards. They cover the entire spectral range, allowing the quantification of almost any organic molecule by qNMR. Solubility tests were done at room-temperature using commercially available NMR solvents. Tests were performed starting from 1 mg/ml up to 250 mg/ml (mg CRM/ml solvent). T1 relaxation times were recorded for the CRM only (c ≈ 5 to 20 mg/ml at 25°C), but may vary in the mixture. Therefore it is recommended to check the T1 delay prior to the qNMR experiment. (*with DCl or NaOD)
 

Standards for 1H quantitative NMR, TraceCERT®

PN Substance
D2O
CDCl3
DMSO-d6
CD3OD
CD3CN
δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml)

01380

Ethylene carbonate

4.5

5.5

>250

4.5

7.0

>250

4.5

2.7

>250

4.5

5.3

>250

4.5

2.0

>250

03826

Calcium formate

8.4

3.4

>250

-

-

-

-

-

-

-

-

-

-

-

-

06185

Benzoic acid

-

-

-

8.1

7.7

7.5

3.7

4.0

3.4

150

8.0

7.6

7.5

3.3

3.7

3.0

>250

8.0

7.6

7.5

4.3

4.4

3.9

>250

8.0

7.7

7.5

4.5

2.5

2.6

80

06856

Duroquinone

-

-

-

2.0

3.3

>250

2.0

3.1

30

2.0

4.0

10

2.0

5.4

20

07038

Dimethyl

terephthalate

-

-

-

8.1

4.0

3.6

1.8

160

8.1

3.9

2.9

1.1

20

8.1

4.0

4.4

2.4

4

8.1

3.9

4.9

2.6

20

14659

Potassium hydrogen phthalate

7.5

2.5

>250*

-

-

-

-

-

-

7.9

2.5

5

-

-

-

40384

1,2,4,5-Tetrachloro-  3-nitro-benzene

-

-

-

7.8

10.7

>250

8.5

12.6

>250

8.1

6.4

30

8.0

9.6

10

41867

Dimethyl sulfone

3.0

2.9

>250

3.0

2.7

80

3.0

2.4

>250

3.0

3.3

40

2.9

2.6

>250

42582

Ethyl 4(dimethyl-amino)benzoate

-

-

-

7.9

6.7

4.3

3.1

1.4

4.1

2.4

2.8

2.3

2.6

>250

7.8

6.7

4.2

3.0

1.3

2.7

1.4

1.8

1.5

2.1

>250

7.9

6.7

4.3

3.0

1.4

4.3

2.4

2.9

2.8

2.8

>250

7.9

6.7

4.3

3.0

1.3

5.6

3.7

4.1

3.6

3.6

50

50409

Thymol

-

-

-

7.1

6.8

6.6

3.2

2.3

1.3

3.8

4.5

4.8

4.3

3.1

1.9

>250

7.0

6.7

6.5

3.1

2.2

1.1

2.0

2.2

2.6

2.3

2.0

0.9

>250

7.0

6.6

6.5

3.2

2.2

1.2

3.7

4.4

5.8

4.0

2.8

1.8

>250

7.1

6.7

6.6

3.2

2.2

1.2

4.9

5.7

5.7

5.2

3.5

2.4

>250

55177

Benzyl benzoate

-

-

-

5.4

8.1

4.3

13.6

>250

5.4

8.0

2.2

8.8

>250

5.4

8.1

2.0

3.9

>250

5.4

8.1

1.0

2.4

>250

74599

1,3,5-Trimethoxy- benzene

-

-

-

6.1

3.8

4.7

2.2

>250

6.1

3.7

3.2

1.4

>250

6.1

3.8

4.8

2.7

>250

6.7

4.3

3.4

2.6

>250

74658

1,2,4,5-Tetramethyl-benzene

-

-

-

7.0

2.2

6.1

4.0

>250

6.9

2.1

4.7

2.6

10

6.9

2.2

5.9

4.3

10

6.9

2.2

7.7

5.0

50

89151

Dimethylmalonic acid

1.3

1.0

100

-

-

-

1.3

0.7

250

1.4

1.0

250

1.4

2.0

30

92816

Maleic acid

6.3

6.1

>250

-

-

-

6.3

3.0

>250

6.3

3.9

20

6.4

6.2

20

93074

Pentachlorobenzene

-

-

-

7.6

5.8

>250

8.2

13.8

15

7.9

8.2

9

7.8

12.2

15

94681

Methyl 3,5-dinitrobenzoate

-

-

-

9.3

9.2

4.1

8.0

6.1

2.6

>250

9.1

8.9

4.0

8.1

8.1

1.6

100

-

-

-

9.1

9.0

4.0

9.0

8.2

3.5

>250

*with DCl or NaOD





 

Standards for 31P quantitative NMR

PN Substance
D2O
CDCl3
DMSO-d6
CD3OD
CD3CN
δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml)
05498 Triphenyl phosphate - - - -17.7 2.7 >250 -17.3 1.2 >100 -17.5 3.1 >10 -17 4.3 >250
92214 Potassium phosphate monobasic 0.08 8.0 >250 - - - - - - - - - - - -
96708 Phosphonoacetic acid 15.7 4.6 >250 - - - 14.9 1.5 >250 17.7 2.9 >250 - - -



 

Standards for 19F quantitative NMR

PN Substance
D2O
CDCl3
DMSO-d6
CD3OD
CD3CN
δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml) δ
(ppm)
T1 (s) s (mg/ml)
07563 4,4’-Difluorobenzophenone
- - - -105.8 2.4 >250 -106.5 1.4 150 -108.1 2.8 30 -108.3 2.3 140
53396 2,4-Dichlorobenzotrifluoride
- - - -62.5 2.3 >250 -61.2 1.2 >250 -65.4 3.3 >250 -63 2.9 >250
80730 2-Chloro-4-fluorotoluene
- - - -115.8 4.4 >250 -115.3 3.3 >250 -117.7 4.8 >250 -117.3 4.7 >250