| SpectraBase Spectrum ID |
EJFBfgF4Qv0 |
| Name |
benzoic acid, 2-chloro-5-[3-mercapto-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-4-yl]- |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C17H14ClN3O3S/c1-24-12-5-2-10(3-6-12)8-15-19-20-17(25)21(15)11-4-7-14(18)13(9-11)16(22)23/h2-7,9H,8H2,1H3,(H,20,25)(H,22,23) |
| InChIKey |
LCESFVKXLLCBRT-UHFFFAOYSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_11628_296 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: F03900; Labnumber: NNOBK-8299 |
| Temperature |
308 °C |
![benzoic acid, 2-chloro-5-[3-mercapto-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-4-yl]-](/api/spectrum/EJFBfgF4Qv0/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[3-mercapto-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-4-yl]-")
