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 |