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3-[(o-Aminophenyl)thio]-3-(p-chlorophenyl)propiophenone
SpectraBase Compound ID 9rV1YuZeB8P
InChI InChI=1S/C21H18ClNOS/c22-17-12-10-16(11-13-17)21(25-20-9-5-4-8-18(20)23)14-19(24)15-6-2-1-3-7-15/h1-13,21H,14,23H2
InChIKey JDEUEYSEJIGMIY-UHFFFAOYSA-N
Mol Weight 367.89 g/mol
Molecular Formula C21H18ClNOS
Exact Mass 367.079763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26shGaFpVMr
Name 3-[(o-Aminophenyl)thio]-3-(p-chlorophenyl)propiophenone
Comments Computed using HOSE algorithm
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Exact Mass 367.079763077 u
Formula C21H18ClNOS
InChI InChI=1S/C21H18ClNOS/c22-17-12-10-16(11-13-17)21(25-20-9-5-4-8-18(20)23)14-19(24)15-6-2-1-3-7-15/h1-13,21H,14,23H2
InChIKey JDEUEYSEJIGMIY-UHFFFAOYSA-N
Molecular Weight 367.894 g/mol
SMILES NC=1C(SC(CC(C=2C=CC=CC2)=O)C=2C=CC(=CC2)Cl)=CC=CC1