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1,2-Diphenyl-1-phenylthiopenta-1(E),4-diene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,2-Diphenyl-1-phenylthiopenta-1(E),4-diene
SpectraBase Compound ID JXDNYkqgMSq
InChI InChI=1S/C23H20S/c1-2-12-22(19-13-6-3-7-14-19)23(20-15-8-4-9-16-20)24-21-17-10-5-11-18-21/h2-11,13-18H,1,12H2/b23-22+
InChIKey YFPCALAKYKZDFR-GHVJWSGMSA-N
Mol Weight 328.47 g/mol
Molecular Formula C23H20S
Exact Mass 328.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HDMGBg4fDqq
Name 1,2-Diphenyl-1-phenylthiopenta-1(E),4-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.128571818 u
Formula C23H20S
InChI InChI=1S/C23H20S/c1-2-12-22(19-13-6-3-7-14-19)23(20-15-8-4-9-16-20)24-21-17-10-5-11-18-21/h2-11,13-18H,1,12H2/b23-22+
InChIKey YFPCALAKYKZDFR-GHVJWSGMSA-N
Molecular Weight 328.473 g/mol
SMILES C1(\C(SC=2C=CC=CC2)=C/(C2=CC=CC=C2)CC=C)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950959