benzoic acid, 3-[[3-mercapto-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]methyl]-

SpectraBase Compound ID	JawoSXJ8Zvj
InChI	InChI=1S/C19H19N3O5S/c1-25-14-8-13(9-15(26-2)16(14)27-3)17-20-21-19(28)22(17)10-11-5-4-6-12(7-11)18(23)24/h4-9H,10H2,1-3H3,(H,21,28)(H,23,24)
InChIKey	RRGOFDHIAGHOLM-UHFFFAOYSA-N Google Search
Mol Weight	401.44 g/mol
Molecular Formula	C19H19N3O5S
Exact Mass	401.104542 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	3vT2k8Ul5zO
Name	benzoic acid, 3-[[3-mercapto-5-(3,4,5-trimethoxyphenyl)-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/C19H19N3O5S/c1-25-14-8-13(9-15(26-2)16(14)27-3)17-20-21-19(28)22(17)10-11-5-4-6-12(7-11)18(23)24/h4-9H,10H2,1-3H3,(H,21,28)(H,23,24)
InChIKey	RRGOFDHIAGHOLM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_5827
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: NMR/18217301; Labnumber: OBK-8308