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1,1-Diphenyl-2-phenylsulfanylbut-3-en-1-ol

View entire compound with spectra: 1 FTIR, and 4 MS (GC)

1,1-Diphenyl-2-phenylsulfanylbut-3-en-1-ol
SpectraBase Compound ID 3KBHQ4vcgF4
InChI InChI=1S/C22H20OS/c1-2-21(24-20-16-10-5-11-17-20)22(23,18-12-6-3-7-13-18)19-14-8-4-9-15-19/h2-17,21,23H,1H2
InChIKey YNHXHRRUMXCXDG-UHFFFAOYSA-N
Mol Weight 332.46 g/mol
Molecular Formula C22H20OS
Exact Mass 332.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KuneTYEQor1
Name 1,1-Diphenyl-2-phenylthiobut-3-en-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.123486437 u
Formula C22H20OS
InChI InChI=1S/C22H20OS/c1-2-21(24-20-16-10-5-11-17-20)22(23,18-12-6-3-7-13-18)19-14-8-4-9-15-19/h2-17,21,23H,1H2
InChIKey YNHXHRRUMXCXDG-UHFFFAOYSA-N
Molecular Weight 332.461 g/mol
SMILES C1=CC=C(C=C1)C(C(C=C)SC1=CC=CC=C1)(O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890412