5-[2-(2-bromophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester

SpectraBase Compound ID	I7psFCZAJMz
InChI	InChI=1S/C20H22BrNO6S/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-10-8-7-9-13(14)21/h7-10,12H,5-6H2,1-4H3,(H,22,23)
InChIKey	IIWFKPYRCRYMKT-UHFFFAOYSA-N Google Search
Mol Weight	484.36 g/mol
Molecular Formula	C20H22BrNO6S
Exact Mass	483.035122 g/mol

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SpectraBase Spectrum ID	7ft7CdNwtV0
Name	2,4-thiophenedicarboxylic acid, 5-[[2-(2-bromophenoxy)-1-oxopropyl]amino]-3-methyl-, diethyl 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	483.035121600 u
Formula	C20H22BrNO6S
InChI	InChI=1S/C20H22BrNO6S/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-10-8-7-9-13(14)21/h7-10,12H,5-6H2,1-4H3,(H,22,23)
InChIKey	IIWFKPYRCRYMKT-UHFFFAOYSA-N
Molecular Weight	484.361 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_13982
Solvent	DMSO-d6
Source	Vendor ID: ZI/10020243; Lab Info: PNA; Lab Number: PNA-1991575