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

SpectraBase Compound ID	7RcB6g2fi4h
InChI	InChI=1S/C17H14ClN3O3S/c1-2-24-12-6-3-10(4-7-12)15-19-20-17(25)21(15)11-5-8-14(18)13(9-11)16(22)23/h3-9H,2H2,1H3,(H,20,25)(H,22,23)
InChIKey	WQBBETHXZKYZCA-UHFFFAOYSA-N Google Search
Mol Weight	375.83 g/mol
Molecular Formula	C17H14ClN3O3S
Exact Mass	375.04444 g/mol

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SpectraBase Spectrum ID	8ZXtn5wXNIQ
Name	benzoic acid, 2-chloro-5-[3-(4-ethoxyphenyl)-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/C17H14ClN3O3S/c1-2-24-12-6-3-10(4-7-12)15-19-20-17(25)21(15)11-5-8-14(18)13(9-11)16(22)23/h3-9H,2H2,1H3,(H,20,25)(H,22,23)
InChIKey	WQBBETHXZKYZCA-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_315
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: F03919; Labnumber: NNOBK-8338
Temperature	308 °C