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benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-amino-4-[(phenylmethyl)thio]-, methyl ester
SpectraBase Compound ID DiQygNpW6Fi
InChI InChI=1S/C19H18N2O3S2/c1-11(22)21-17-16-14(25-10-12-6-4-3-5-7-12)8-13(20)9-15(16)26-18(17)19(23)24-2/h3-9H,10,20H2,1-2H3,(H,21,22)
InChIKey HGMOIFSQCACZHO-UHFFFAOYSA-N
Mol Weight 386.48 g/mol
Molecular Formula C19H18N2O3S2
Exact Mass 386.075885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8V8tmltgaMD
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-amino-4-[(phenylmethyl)thio]-, 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 386.075884793 u
Formula C19H18N2O3S2
InChI InChI=1S/C19H18N2O3S2/c1-11(22)21-17-16-14(25-10-12-6-4-3-5-7-12)8-13(20)9-15(16)26-18(17)19(23)24-2/h3-9H,10,20H2,1-2H3,(H,21,22)
InChIKey HGMOIFSQCACZHO-UHFFFAOYSA-N
Molecular Weight 386.484 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16424
Solvent DMSO-d6
Source Vendor ID: NMR/10320360; Lab Info: DAL; Lab Number: DAL-0000001