SpectraBase Spectrum ID |
v2UkrpbEKK |
Name |
benzoic acid, 3-[[3-mercapto-5-(3-pyridinyl)-4H-1,2,4-triazol-4-yl]methyl]- |
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/C15H12N4O2S/c20-14(21)11-4-1-3-10(7-11)9-19-13(17-18-15(19)22)12-5-2-6-16-8-12/h1-8H,9H2,(H,18,22)(H,20,21) |
InChIKey |
RXJWBEHUPQIOQY-UHFFFAOYSA-N |
NMR Offset |
15.5012 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_SBI_11628_10812 |
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: F38427; Labnumber: NNOBK-11420 |
Temperature |
315 °C |