N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-ethoxybenzamide

SpectraBase Compound ID	ByvrRF2MjLC
InChI	InChI=1S/C21H19F6N3O2S/c1-2-32-15-9-5-3-8-13(15)17(31)29-19(20(22,23)24,21(25,26)27)30-18-14(11-28)12-7-4-6-10-16(12)33-18/h3,5,8-9,30H,2,4,6-7,10H2,1H3,(H,29,31)
InChIKey	DZFDRMMUQCNAIA-UHFFFAOYSA-N Google Search
Mol Weight	491.45 g/mol
Molecular Formula	C21H19F6N3O2S
Exact Mass	491.110217 g/mol

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SpectraBase Spectrum ID	HnlqhKCTBmX
Name	N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-ethoxybenzamide
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/C21H19F6N3O2S/c1-2-32-15-9-5-3-8-13(15)17(31)29-19(20(22,23)24,21(25,26)27)30-18-14(11-28)12-7-4-6-10-16(12)33-18/h3,5,8-9,30H,2,4,6-7,10H2,1H3,(H,29,31)
InChIKey	DZFDRMMUQCNAIA-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_2900
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: NMR/9233240; Labnumber: AU-0000660