| SpectraBase Spectrum ID |
6S16TqYZtOI |
| Name |
benzoic acid, 2-chloro-5-[3-[3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-5-mercapto-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/C16H16ClN5O2S/c1-16(2,3)12-7-11(18-19-12)13-20-21-15(25)22(13)8-4-5-10(17)9(6-8)14(23)24/h4-7H,1-3H3,(H,18,19)(H,21,25)(H,23,24) |
| InChIKey |
YTFSGYBTALVIMH-UHFFFAOYSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_11628_304 |
| 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: F03908; Labnumber: NNOBK-8320 |
| Temperature |
308 °C |
![benzoic acid, 2-chloro-5-[3-[3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-5-mercapto-4H-1,2,4-triazol-4-yl]-](/api/spectrum/6S16TqYZtOI/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[3-[3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-5-mercapto-4H-1,2,4-triazol-4-yl]-")
