5-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester

SpectraBase Compound ID	7T5aJS9FJ28
InChI	InChI=1S/C19H19BrClNO6S/c1-4-26-18(24)15-10(3)16(19(25)27-5-2)29-17(15)22-14(23)9-28-13-7-6-11(21)8-12(13)20/h6-8H,4-5,9H2,1-3H3,(H,22,23)
InChIKey	HPERMQZHAJUHPT-UHFFFAOYSA-N Google Search
Mol Weight	504.78 g/mol
Molecular Formula	C19H19BrClNO6S
Exact Mass	502.980499 g/mol

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SpectraBase Spectrum ID	BfrOtsryFD2
Name	2,4-thiophenedicarboxylic acid, 5-[[(2-bromo-4-chlorophenoxy)acetyl]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	502.980499204 u
Formula	C19H19BrClNO6S
InChI	InChI=1S/C19H19BrClNO6S/c1-4-26-18(24)15-10(3)16(19(25)27-5-2)29-17(15)22-14(23)9-28-13-7-6-11(21)8-12(13)20/h6-8H,4-5,9H2,1-3H3,(H,22,23)
InChIKey	HPERMQZHAJUHPT-UHFFFAOYSA-N
Molecular Weight	504.779 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_13986
Solvent	DMSO-d6
Source	Vendor ID: ZI/10023939; Lab Info: PNA; Lab Number: PNA-1991562