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3-[(o-Aminophenyl)thio]-3-(m-nitrophenyl)propiophenone

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

3-[(o-Aminophenyl)thio]-3-(m-nitrophenyl)propiophenone
SpectraBase Compound ID KfVCiXc9dCt
InChI InChI=1S/C21H18N2O3S/c22-18-11-4-5-12-20(18)27-21(14-19(24)15-7-2-1-3-8-15)16-9-6-10-17(13-16)23(25)26/h1-13,21H,14,22H2
InChIKey HBSFQQKLTZDQKW-UHFFFAOYSA-N
Mol Weight 378.45 g/mol
Molecular Formula C21H18N2O3S
Exact Mass 378.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1d2kX5hBbKW
Name 3-[(o-Aminophenyl)thio]-3-(m-nitrophenyl)propiophenone
Comments Computed using HOSE algorithm
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Exact Mass 378.103813619 u
Formula C21H18N2O3S
InChI InChI=1S/C21H18N2O3S/c22-18-11-4-5-12-20(18)27-21(14-19(24)15-7-2-1-3-8-15)16-9-6-10-17(13-16)23(25)26/h1-13,21H,14,22H2
InChIKey HBSFQQKLTZDQKW-UHFFFAOYSA-N
Molecular Weight 378.446 g/mol
SMILES NC=1C=CC=CC1SC(C1=CC=CC(=C1)N(=O)=O)CC(C=1C=CC=CC1)=O