3-Acetylamino-4-isobutylsulfanyl-6-nitro-benzo[b]thiophene-2-carboxylic acid ethyl ester

SpectraBase Compound ID	3SKF7pkZXfx
InChI	InChI=1S/C17H20N2O5S2/c1-5-24-17(21)16-15(18-10(4)20)14-12(25-8-9(2)3)6-11(19(22)23)7-13(14)26-16/h6-7,9H,5,8H2,1-4H3,(H,18,20)
InChIKey	RIPZRJFTUHMCMW-UHFFFAOYSA-N Google Search
Mol Weight	396.48 g/mol
Molecular Formula	C17H20N2O5S2
Exact Mass	396.081364 g/mol

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SpectraBase Spectrum ID	C3FpNK2Sue0
Name	benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-4-[(2-methylpropyl)thio]-6-nitro-, ethyl 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	396.081364095 u
Formula	C17H20N2O5S2
InChI	InChI=1S/C17H20N2O5S2/c1-5-24-17(21)16-15(18-10(4)20)14-12(25-8-9(2)3)6-11(19(22)23)7-13(14)26-16/h6-7,9H,5,8H2,1-4H3,(H,18,20)
InChIKey	RIPZRJFTUHMCMW-UHFFFAOYSA-N
Molecular Weight	396.476 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14341
Solvent	DMSO-d6
Source	Vendor ID: NMR/10320355; Lab Info: DAL; Lab Number: DAL-01010032