2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

SpectraBase Compound ID	9jfO0f1ItXs
InChI	InChI=1S/C21H25ClN2O3S/c1-12-11-14(9-10-16(12)22)27-13(2)20(26)24-21-18(19(23)25)15-7-5-3-4-6-8-17(15)28-21/h9-11,13H,3-8H2,1-2H3,(H2,23,25)(H,24,26)
InChIKey	SQZNOIZOEFUARO-UHFFFAOYSA-N Google Search
Mol Weight	420.96 g/mol
Molecular Formula	C21H25ClN2O3S
Exact Mass	420.127442 g/mol

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SpectraBase Spectrum ID	CCBMzY2tpLm
Name	2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
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/C21H25ClN2O3S/c1-12-11-14(9-10-16(12)22)27-13(2)20(26)24-21-18(19(23)25)15-7-5-3-4-6-8-17(15)28-21/h9-11,13H,3-8H2,1-2H3,(H2,23,25)(H,24,26)
InChIKey	SQZNOIZOEFUARO-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_2721
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/9291463; Labnumber: PNA-NA00626