2-(2-Bromo-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester

SpectraBase Compound ID	LQYgVHt1TlK
InChI	InChI=1S/C19H20BrNO3S/c1-11(2)24-19(23)16-13-8-4-6-10-15(13)25-18(16)21-17(22)12-7-3-5-9-14(12)20/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,21,22)
InChIKey	AQXTVIQPIMOQJY-UHFFFAOYSA-N Google Search
Mol Weight	422.34 g/mol
Molecular Formula	C19H20BrNO3S
Exact Mass	421.034728 g/mol

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SpectraBase Spectrum ID	DG5AH36qZ3U
Name	benzo[b]thiophene-3-carboxylic acid, 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydro-, 1-methylethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	421.034727679 u
Formula	C19H20BrNO3S
InChI	InChI=1S/C19H20BrNO3S/c1-11(2)24-19(23)16-13-8-4-6-10-15(13)25-18(16)21-17(22)12-7-3-5-9-14(12)20/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,21,22)
InChIKey	AQXTVIQPIMOQJY-UHFFFAOYSA-N
Molecular Weight	422.337 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16256
Solvent	DMSO-d6
Source	Vendor ID: ZI/10028239; Lab Info: PNA; Lab Number: PNA-1991739