3-Amino-6-nitro-4-phenylsulfanyl-benzo[b]thiophene-2-carboxylic acid methyl ester

SpectraBase Compound ID	Gcbv4dIOSe
InChI	InChI=1S/C16H12N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h2-8H,17H2,1H3
InChIKey	JTEZJHUTNNVQGZ-UHFFFAOYSA-N Google Search
Mol Weight	360.4 g/mol
Molecular Formula	C16H12N2O4S2
Exact Mass	360.023849 g/mol

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SpectraBase Spectrum ID	JWUd8WWcjbr
Name	benzo[b]thiophene-2-carboxylic acid, 3-amino-6-nitro-4-(phenylthio)-,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	360.023849218 u
Formula	C16H12N2O4S2
InChI	InChI=1S/C16H12N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h2-8H,17H2,1H3
InChIKey	JTEZJHUTNNVQGZ-UHFFFAOYSA-N
Molecular Weight	360.402 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14336
Solvent	DMSO-d6
Source	Vendor ID: NMR/10320333; Lab Info: DAL; Lab Number: DAL-01010002