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2-(4-Chlorophenyl)-6-(2-methylanilino)-5-phenyl-2,3-dihydrothiopyran-4-one
SpectraBase Compound ID 2Ik9GEWcS1Z
InChI InChI=1S/C24H20ClNOS/c1-16-7-5-6-10-20(16)26-24-23(18-8-3-2-4-9-18)21(27)15-22(28-24)17-11-13-19(25)14-12-17/h2-14,22,26H,15H2,1H3
InChIKey DMRPBQFWAGNTMR-UHFFFAOYSA-N
Mol Weight 405.94 g/mol
Molecular Formula C24H20ClNOS
Exact Mass 405.095413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7kRKU5qN6j0
Name 2-(4-Chlorophenyl)-6-(2-methylanilino)-5-phenyl-2,3-dihydrothiopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.095413141 u
Formula C24H20ClNOS
InChI InChI=1S/C24H20ClNOS/c1-16-7-5-6-10-20(16)26-24-23(18-8-3-2-4-9-18)21(27)15-22(28-24)17-11-13-19(25)14-12-17/h2-14,22,26H,15H2,1H3
InChIKey DMRPBQFWAGNTMR-UHFFFAOYSA-N
Molecular Weight 405.943 g/mol
SMILES C1(=C(C(=O)CC(S1)C=1C=CC(=CC1)Cl)C1=CC=CC=C1)NC=1C(C)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899938