| SpectraBase Spectrum ID |
KdG4MZiYQQx |
| Name |
benzoic acid, 4-[3-(4-bromophenyl)-5-[(phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.014660939 u |
| Formula |
C22H16BrN3O2S |
| InChI |
InChI=1S/C22H16BrN3O2S/c23-18-10-6-16(7-11-18)20-24-25-22(29-14-15-4-2-1-3-5-15)26(20)19-12-8-17(9-13-19)21(27)28/h1-13H,14H2,(H,27,28) |
| InChIKey |
YNGDAVVMTRIJKW-UHFFFAOYSA-N |
| Molecular Weight |
466.353 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9301 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10240397; Lab Info: OBK; Lab Number: OBK-0003611 |
| Temperature |
29.85 °C |
![benzoic acid, 4-[3-(4-bromophenyl)-5-[(phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]-](/api/spectrum/KdG4MZiYQQx/structure.png?h=300&w=458 "benzoic acid, 4-[3-(4-bromophenyl)-5-[(phenylmethyl)thio]-4H-1,2,4-triazol-4-yl]-")
