| SpectraBase Spectrum ID |
L0YWoI03eYn |
| Name |
benzoic acid, 4-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-,methyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.072847843 u |
| Formula |
C12H13N3O2S |
| InChI |
InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-9-3-5-10(6-4-9)11(16)17-2/h3-6,8H,7H2,1-2H3 |
| InChIKey |
UMNLRWVXDOGLIY-UHFFFAOYSA-N |
| Molecular Weight |
263.315 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5366 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9233439; Lab Info: PNA; Lab Number: PNA-NA00123 |
![benzoic acid, 4-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-,methyl ester](/api/spectrum/L0YWoI03eYn/structure.png?h=300&w=458 "benzoic acid, 4-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-,methyl ester")
