4-[(3-carbethoxy-7-keto-5,6-dihydro-4H-benzothiophen-2-yl)amino]-4-keto-butyric acid

SpectraBase Compound ID	21fc0GmrRCo
InChI	InChI=1S/C15H17NO6S/c1-2-22-15(21)12-8-4-3-5-9(17)13(8)23-14(12)16-10(18)6-7-11(19)20/h2-7H2,1H3,(H,16,18)(H,19,20)
InChIKey	TUFDZUKIWRSOSQ-UHFFFAOYSA-N Google Search
Mol Weight	339.36 g/mol
Molecular Formula	C15H17NO6S
Exact Mass	339.077658 g/mol

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SpectraBase Spectrum ID	DdjADEGXqzC
Name	benzo[b]thiophene-3-carboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4,5,6,7-tetrahydro-7-oxo-, ethyl 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/C15H17NO6S/c1-2-22-15(21)12-8-4-3-5-9(17)13(8)23-14(12)16-10(18)6-7-11(19)20/h2-7H2,1H3,(H,16,18)(H,19,20)
InChIKey	TUFDZUKIWRSOSQ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_3048
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/11248552