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3-Chloranyl-N-(4-methylphenyl)benzo[g][1]benzothiole-2-carboxamide

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

3-Chloranyl-N-(4-methylphenyl)benzo[g][1]benzothiole-2-carboxamide
SpectraBase Compound ID 2VdNSoTTT9C
InChI InChI=1S/C20H14ClNOS/c1-12-6-9-14(10-7-12)22-20(23)19-17(21)16-11-8-13-4-2-3-5-15(13)18(16)24-19/h2-11H,1H3,(H,22,23)
InChIKey WCYDMXQRTABXGF-UHFFFAOYSA-N
Mol Weight 351.85 g/mol
Molecular Formula C20H14ClNOS
Exact Mass 351.048463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EzMXingih7
Name 3-Chloranyl-N-(4-methylphenyl)benzo[G][1]benzothiole-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.048462948 u
Formula C20H14ClNOS
InChI InChI=1S/C20H14ClNOS/c1-12-6-9-14(10-7-12)22-20(23)19-17(21)16-11-8-13-4-2-3-5-15(13)18(16)24-19/h2-11H,1H3,(H,22,23)
InChIKey WCYDMXQRTABXGF-UHFFFAOYSA-N
Molecular Weight 351.851 g/mol
SMILES C=1(SC2=C3C(C=CC=C3)=CC=C2C1Cl)C(NC1=CC=C(C=C1)C)=O