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(2-(1'-Phenyl thiopentyl)-1-cyclopentenyl) phenylsulfoxide

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

(2-(1'-Phenyl thiopentyl)-1-cyclopentenyl) phenylsulfoxide
SpectraBase Compound ID 9bBsEeaslll
InChI InChI=1S/C22H26OS2/c1-2-3-15-20(18-11-6-4-7-12-18)24-21-16-10-17-22(21)25(23)19-13-8-5-9-14-19/h4-9,11-14,20H,2-3,10,15-17H2,1H3
InChIKey YYAZKVDZYHUEBV-UHFFFAOYSA-N
Mol Weight 370.57 g/mol
Molecular Formula C22H26OS2
Exact Mass 370.142508 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KSFmYBHtaza
Name (2-(1'-Phenyl thiopentyl)-1-cyclopentenyl) phenylsulfoxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.142507804 u
Formula C22H26OS2
InChI InChI=1S/C22H26OS2/c1-2-3-15-20(18-11-6-4-7-12-18)24-21-16-10-17-22(21)25(23)19-13-8-5-9-14-19/h4-9,11-14,20H,2-3,10,15-17H2,1H3
InChIKey YYAZKVDZYHUEBV-UHFFFAOYSA-N
Molecular Weight 370.569 g/mol
SMILES C1(S(=O)C2=CC=CC=C2)=C(SC(C2=CC=CC=C2)CCCC)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813837