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

SpectraBase Compound ID	6jQDjzi3VCH
InChI	InChI=1S/C16H18N2O5S2/c1-8(2)7-24-11-5-10(18(21)22)6-12-13(11)14(17-9(3)19)15(25-12)16(20)23-4/h5-6,8H,7H2,1-4H3,(H,17,19)
InChIKey	SZCGKRITYPADFI-UHFFFAOYSA-N Google Search
Mol Weight	382.45 g/mol
Molecular Formula	C16H18N2O5S2
Exact Mass	382.065714 g/mol

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SpectraBase Spectrum ID	3LqpBLSRhG7
Name	benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-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	382.065714031 u
Formula	C16H18N2O5S2
InChI	InChI=1S/C16H18N2O5S2/c1-8(2)7-24-11-5-10(18(21)22)6-12-13(11)14(17-9(3)19)15(25-12)16(20)23-4/h5-6,8H,7H2,1-4H3,(H,17,19)
InChIKey	SZCGKRITYPADFI-UHFFFAOYSA-N
Molecular Weight	382.449 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14914
Solvent	DMSO-d6
Source	Vendor ID: NMR/10320354; Lab Info: DAL; Lab Number: DAL-01010031