3-Amino-4-[(4-chlorobenzyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester

SpectraBase Compound ID	Iin0mzZH77G
InChI	InChI=1S/C17H13ClN2O4S2/c1-24-17(21)16-15(19)14-12(6-11(20(22)23)7-13(14)26-16)25-8-9-2-4-10(18)5-3-9/h2-7H,8,19H2,1H3
InChIKey	JCPWTUMNHIKBPD-UHFFFAOYSA-N Google Search
Mol Weight	408.87 g/mol
Molecular Formula	C17H13ClN2O4S2
Exact Mass	408.000527 g/mol

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SpectraBase Spectrum ID	83aKaLohtun
Name	benzo[b]thiophene-2-carboxylic acid, 3-amino-4-[[(4-chlorophenyl)methyl]thio]-6-nitro-, methyl 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	408.000526951 u
Formula	C17H13ClN2O4S2
InChI	InChI=1S/C17H13ClN2O4S2/c1-24-17(21)16-15(19)14-12(6-11(20(22)23)7-13(14)26-16)25-8-9-2-4-10(18)5-3-9/h2-7H,8,19H2,1H3
InChIKey	JCPWTUMNHIKBPD-UHFFFAOYSA-N
Molecular Weight	408.874 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14909
Solvent	DMSO-d6
Source	Vendor ID: NMR/10320334; Lab Info: DAL; Lab Number: DAL-01010004