acetic acid, [[4-(2-hydroxyethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester

SpectraBase Compound ID	wdjgoJIVzv
InChI	InChI=1S/C13H16N4O3S/c1-2-20-11(19)9-21-13-16-15-12(17(13)6-7-18)10-4-3-5-14-8-10/h3-5,8,18H,2,6-7,9H2,1H3
InChIKey	QHLWRURDNVKLCC-UHFFFAOYSA-N Google Search
Mol Weight	308.36 g/mol
Molecular Formula	C13H16N4O3S
Exact Mass	308.094312 g/mol

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SpectraBase Spectrum ID	BCYpzDQzCTM
Name	acetic acid, [[4-(2-hydroxyethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
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/C13H16N4O3S/c1-2-20-11(19)9-21-13-16-15-12(17(13)6-7-18)10-4-3-5-14-8-10/h3-5,8,18H,2,6-7,9H2,1H3
InChIKey	QHLWRURDNVKLCC-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_10033
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: F36601; Labnumber: BAL5-1882