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

SpectraBase Compound ID	CCplrbuhWZF
InChI	InChI=1S/C14H18N4O3S/c1-2-21-12(20)10-22-14-17-16-13(18(14)8-3-9-19)11-4-6-15-7-5-11/h4-7,19H,2-3,8-10H2,1H3
InChIKey	BRTPKFSPOLFBDX-UHFFFAOYSA-N Google Search
Mol Weight	322.38 g/mol
Molecular Formula	C14H18N4O3S
Exact Mass	322.109962 g/mol

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SpectraBase Spectrum ID	IJsLzwDAaiJ
Name	acetic acid, [[4-(3-hydroxypropyl)-5-(4-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/C14H18N4O3S/c1-2-21-12(20)10-22-14-17-16-13(18(14)8-3-9-19)11-4-6-15-7-5-11/h4-7,19H,2-3,8-10H2,1H3
InChIKey	BRTPKFSPOLFBDX-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8013
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: F31420; Labnumber: BAL5-1839