1,3-benzenediol, 4-[4-(1,3-benzodioxol-5-ylmethyl)-5-mercapto-4H-1,2,4-triazol-3-yl]-

SpectraBase Compound ID	Hcfqgs3xM0j
InChI	InChI=1S/C16H13N3O4S/c20-10-2-3-11(12(21)6-10)15-17-18-16(24)19(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6,20-21H,7-8H2,(H,18,24)
InChIKey	QXISASWEOSLSRB-UHFFFAOYSA-N Google Search
Mol Weight	343.36 g/mol
Molecular Formula	C16H13N3O4S
Exact Mass	343.062677 g/mol

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SpectraBase Spectrum ID	AKs3Oy5jd30
Name	1,3-benzenediol, 4-[4-(1,3-benzodioxol-5-ylmethyl)-5-mercapto-4H-1,2,4-triazol-3-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/C16H13N3O4S/c20-10-2-3-11(12(21)6-10)15-17-18-16(24)19(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6,20-21H,7-8H2,(H,18,24)
InChIKey	QXISASWEOSLSRB-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_6029
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: F26755; Labnumber: NNOBK-9346