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

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
4.0 8.1
3.9
4.9
2.6
20
14659 Potassium hydrogen phthalate 7.5 2.5 >250* - - - - - - 7.9 2.5 5.0 - - -
40384 1,2,4,5-Tetrachloro- 3-nitro-benzene - - - 7.8 10.7 >250 8.5 12.6 >250 9.4 9.6 50 6.8 6.4 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
3.8
2.4
2.8
2.0
2.5
>250 7.8
6.7
4.2
3.0
1.3
2.5
1.4
1.9
1.5
2.1
>250 7.9
6.7
4.3
3.0
1.4
3.4
2.5
3.3
2.2
2.7
>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-Trimethoxybenzene - - - 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 10 6.4 2.3 20
94681 Methyl 3,5-dinitrobenzoate - - - 9.3
9.2
4.1
8.0
6.1
2.6
>250 9.1
8.9
4.0
9.4
7.6
1.5
100 - - - 9.1
9.0
4.0
9.0
8.2
3.5
>250





 

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