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(Z)-ethyl(2-phenylpenta-1,4-dienyl)sulfane

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

(Z)-ethyl(2-phenylpenta-1,4-dienyl)sulfane
SpectraBase Compound ID 7wQ8TC3aYPZ
InChI InChI=1S/C13H16S/c1-3-8-13(11-14-4-2)12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3/b13-11-
InChIKey BGZRPUAATRWZPS-QBFSEMIESA-N
Mol Weight 204.33 g/mol
Molecular Formula C13H16S
Exact Mass 204.097272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HXqmi786po0
Name (Z)-Ethyl(2-phenylpenta-1,4-dienyl)sulfane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.097271689 u
Formula C13H16S
InChI InChI=1S/C13H16S/c1-3-8-13(11-14-4-2)12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3/b13-11-
InChIKey BGZRPUAATRWZPS-QBFSEMIESA-N
Molecular Weight 204.331 g/mol
SMILES C(S\C=C\(CC=C)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921606