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

SpectraBase Compound ID	4LKzMlGHUD8
InChI	InChI=1S/C14H16N2O4S2/c1-7(2)6-21-9-4-8(16(18)19)5-10-11(9)12(15)13(22-10)14(17)20-3/h4-5,7H,6,15H2,1-3H3
InChIKey	POZSDOMOSSHYLS-UHFFFAOYSA-N Google Search
Mol Weight	340.41 g/mol
Molecular Formula	C14H16N2O4S2
Exact Mass	340.055149 g/mol

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SpectraBase Spectrum ID	GeykzDN2Gvv
Name	benzo[b]thiophene-2-carboxylic acid, 3-amino-4-[(2-methylpropyl)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	340.055149347 u
Formula	C14H16N2O4S2
InChI	InChI=1S/C14H16N2O4S2/c1-7(2)6-21-9-4-8(16(18)19)5-10-11(9)12(15)13(22-10)14(17)20-3/h4-5,7H,6,15H2,1-3H3
InChIKey	POZSDOMOSSHYLS-UHFFFAOYSA-N
Molecular Weight	340.412 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14910
Solvent	DMSO-d6
Source	Vendor ID: NMR/10320335; Lab Info: DAL; Lab Number: DAL-01010005