[(4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

SpectraBase Compound ID	LHzddQaPsvX
InChI	InChI=1S/C13H13N3O2S/c1-2-8-16-12(10-6-4-3-5-7-10)14-15-13(16)19-9-11(17)18/h2-7H,1,8-9H2,(H,17,18)
InChIKey	GZZCGBONHJILEF-UHFFFAOYSA-N Google Search
Mol Weight	275.33 g/mol
Molecular Formula	C13H13N3O2S
Exact Mass	275.072848 g/mol

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SpectraBase Spectrum ID	BooFj7daQIB
Name	[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C13H13N3O2S/c1-2-8-16-12(10-6-4-3-5-7-10)14-15-13(16)19-9-11(17)18/h2-7H,1,8-9H2,(H,17,18)
InChIKey	GZZCGBONHJILEF-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9961
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: 132948; Labnumber: MKOB-137; VK_ID: VK-009965
Temperature	318 °C