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1-(1-Hydroxy-1-phenylethyl)-1-phenylsulfanyl-1,2,4-pentatriene

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1-(1-Hydroxy-1-phenylethyl)-1-phenylsulfanyl-1,2,4-pentatriene
SpectraBase Compound ID 7WIGffVIiyv
InChI InChI=1S/C19H18OS/c1-3-4-15-18(21-17-13-9-6-10-14-17)19(2,20)16-11-7-5-8-12-16/h3-14,20H,1H2,2H3
InChIKey YAZRLZSMHUWAII-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C19H18OS
Exact Mass 294.107836 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E8EFW1q4FCH
Name 1-(1-Hydroxy-1-phenylethyl)-1-phenylsulfanyl-1,2,4-pentatriene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.107836373 u
Formula C19H18OS
InChI InChI=1S/C19H18OS/c1-3-4-15-18(21-17-13-9-6-10-14-17)19(2,20)16-11-7-5-8-12-16/h3-14,20H,1H2,2H3
InChIKey YAZRLZSMHUWAII-UHFFFAOYSA-N
Molecular Weight 294.412 g/mol
SMILES C(C(C1=CC=CC=C1)(O)C)(=C=CC=C)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835072