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

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3-Acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID JqFdUPZgdRY
InChI InChI=1S/C19H16N2O5S2/c1-3-26-19(23)18-17(20-11(2)22)16-14(27-13-7-5-4-6-8-13)9-12(21(24)25)10-15(16)28-18/h4-10H,3H2,1-2H3,(H,20,22)
InChIKey KAWZYQJKVRCKAE-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C19H16N2O5S2
Exact Mass 416.050064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3WQTOO0717H
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-nitro-4-(phenylthio)-, 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 416.050063966 u
Formula C19H16N2O5S2
InChI InChI=1S/C19H16N2O5S2/c1-3-26-19(23)18-17(20-11(2)22)16-14(27-13-7-5-4-6-8-13)9-12(21(24)25)10-15(16)28-18/h4-10H,3H2,1-2H3,(H,20,22)
InChIKey KAWZYQJKVRCKAE-UHFFFAOYSA-N
Molecular Weight 416.466 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14916
Solvent DMSO-d6
Source Vendor ID: NMR/10320365; Lab Info: DAL; Lab Number: DAL-01010041