4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid, 2-[(2-bromobenzoyl)amino]-5,6-dihydro-, dimethyl ester

SpectraBase Compound ID	FnHY3iBix1L
InChI	InChI=1S/C18H16BrNO5S/c1-24-17(22)10-7-8-12-13(10)14(18(23)25-2)16(26-12)20-15(21)9-5-3-4-6-11(9)19/h3-6,10H,7-8H2,1-2H3,(H,20,21)
InChIKey	CJYHZMKQISGERE-UHFFFAOYSA-N Google Search
Mol Weight	438.29 g/mol
Molecular Formula	C18H16BrNO5S
Exact Mass	436.993257 g/mol

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SpectraBase Spectrum ID	68YBy6oWeIm
Name	4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid, 2-[(2-bromobenzoyl)amino]-5,6-dihydro-, dimethyl 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/C18H16BrNO5S/c1-24-17(22)10-7-8-12-13(10)14(18(23)25-2)16(26-12)20-15(21)9-5-3-4-6-11(9)19/h3-6,10H,7-8H2,1-2H3,(H,20,21)
InChIKey	CJYHZMKQISGERE-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_7664
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/10329530