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benzo[b]thiophene-3-carboxylic acid, 2-[[(benzoylamino)carbonothioyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID 7DTJhCg5wbF
InChI InChI=1S/C18H18N2O3S2/c1-23-17(22)14-12-9-5-6-10-13(12)25-16(14)20-18(24)19-15(21)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H2,19,20,21,24)
InChIKey PPQAWZIAPPZVGX-UHFFFAOYSA-N
Mol Weight 374.47 g/mol
Molecular Formula C18H18N2O3S2
Exact Mass 374.075885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L3P5INslyTv
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(benzoylamino)carbonothioyl]amino]-4,5,6,7-tetrahydro-, 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 374.075884793 u
Formula C18H18N2O3S2
InChI InChI=1S/C18H18N2O3S2/c1-23-17(22)14-12-9-5-6-10-13(12)25-16(14)20-18(24)19-15(21)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H2,19,20,21,24)
InChIKey PPQAWZIAPPZVGX-UHFFFAOYSA-N
Molecular Weight 374.473 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5344
Solvent DMSO-d6
Source Vendor ID: NMR/9233256; Lab Info: AU; Lab Number: AU-EC00821