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3-Acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID 6rMfdkQU9Ve
InChI InChI=1S/C18H14N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h3-9H,1-2H3,(H,19,21)
InChIKey NOGUMYYCACORKW-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C18H14N2O5S2
Exact Mass 402.034414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4i3LyCDm15C
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-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 402.034413902 u
Formula C18H14N2O5S2
InChI InChI=1S/C18H14N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h3-9H,1-2H3,(H,19,21)
InChIKey NOGUMYYCACORKW-UHFFFAOYSA-N
Molecular Weight 402.439 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14915
Solvent DMSO-d6
Source Vendor ID: NMR/10320362; Lab Info: DAL; Lab Number: DAL-01010039