| SpectraBase Spectrum ID |
4R3qPfAENKo |
| Name |
benzoic acid, 5-[3-(1,3-benzodioxol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl]-2-chloro- |
| 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/C16H10ClN3O4S/c17-11-3-2-9(6-10(11)15(21)22)20-14(18-19-16(20)25)8-1-4-12-13(5-8)24-7-23-12/h1-6H,7H2,(H,19,25)(H,21,22) |
| InChIKey |
OMXKUPXCFDLPII-UHFFFAOYSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_11628_294 |
| 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: F03898; Labnumber: NNOBK-8296 |
| Temperature |
308 °C |
![benzoic acid, 5-[3-(1,3-benzodioxol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl]-2-chloro-](/api/spectrum/4R3qPfAENKo/structure.png?h=300&w=458 "benzoic acid, 5-[3-(1,3-benzodioxol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl]-2-chloro-")
