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4-(N-Acetylsulfanilyl)carbanilide

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(N-Acetylsulfanilyl)carbanilide
SpectraBase Compound ID 6hYOMB9e5aT
InChI InChI=1S/C21H19N3O4S/c1-15(25)22-17-7-11-19(12-8-17)29(27,28)20-13-9-18(10-14-20)24-21(26)23-16-5-3-2-4-6-16/h2-14H,1H3,(H,22,25)(H2,23,24,26)
InChIKey GXRVYLVXDDSWQF-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C21H19N3O4S
Exact Mass 409.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3g3E4j2tJdV
Name 4-(N-Acetylsulfanilyl)carbanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.109627274 u
Formula C21H19N3O4S
InChI InChI=1S/C21H19N3O4S/c1-15(25)22-17-7-11-19(12-8-17)29(27,28)20-13-9-18(10-14-20)24-21(26)23-16-5-3-2-4-6-16/h2-14H,1H3,(H,22,25)(H2,23,24,26)
InChIKey GXRVYLVXDDSWQF-UHFFFAOYSA-N
Molecular Weight 409.460 g/mol
SMILES N(C(C)=O)C1=CC=C(S(C2=CC=C(C=C2)NC(=O)NC2=CC=CC=C2)(=O)=O)C=C1