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3-[4-(Dimethylamino)phenyl]-3-[(4-methylphenyl)sulfanyl]-1-phenylpropan-1-one
SpectraBase Compound ID EnVRpIp6Hg9
InChI InChI=1S/C24H25NOS/c1-18-9-15-22(16-10-18)27-24(17-23(26)19-7-5-4-6-8-19)20-11-13-21(14-12-20)25(2)3/h4-16,24H,17H2,1-3H3
InChIKey PUMBKCGGNKGOQO-UHFFFAOYSA-N
Mol Weight 375.53 g/mol
Molecular Formula C24H25NOS
Exact Mass 375.165686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5TIyEs6kJm
Name 3-[4-(Dimethylamino)phenyl]-3-[(4-methylphenyl)sulfanyl]-1-phenylpropan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.165685602 u
Formula C24H25NOS
InChI InChI=1S/C24H25NOS/c1-18-9-15-22(16-10-18)27-24(17-23(26)19-7-5-4-6-8-19)20-11-13-21(14-12-20)25(2)3/h4-16,24H,17H2,1-3H3
InChIKey PUMBKCGGNKGOQO-UHFFFAOYSA-N
Molecular Weight 375.530 g/mol
SMILES C(C(SC1=CC=C(C=C1)C)C=1C=CC(N(C)C)=CC1)C(=O)C1=CC=CC=C1