acetic acid, [[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-, phenylmethyl ester

SpectraBase Compound ID	ZIbePjJ9cp
InChI	InChI=1S/C20H13F3N2O2S2/c21-20(22,23)15-9-16(17-7-4-8-28-17)25-19(14(15)10-24)29-12-18(26)27-11-13-5-2-1-3-6-13/h1-9H,11-12H2
InChIKey	ZKEBHFAYESJZHP-UHFFFAOYSA-N Google Search
Mol Weight	434.45 g/mol
Molecular Formula	C20H13F3N2O2S2
Exact Mass	434.037055 g/mol

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SpectraBase Spectrum ID	11i5ldqAZvy
Name	acetic acid, [[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-, phenylmethyl 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/C20H13F3N2O2S2/c21-20(22,23)15-9-16(17-7-4-8-28-17)25-19(14(15)10-24)29-12-18(26)27-11-13-5-2-1-3-6-13/h1-9H,11-12H2
InChIKey	ZKEBHFAYESJZHP-UHFFFAOYSA-N
NMR Offset	16.0087
NMR Spectrometer Frequency	500.133
Observed nucleus	1H
Origin	1H_ASIOH_8516_343
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: SH-5355; IOH_ID: IOH-007344