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4-(1-Cyclopentenyl)-4-phenyl-1-butanethiol

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

4-(1-Cyclopentenyl)-4-phenyl-1-butanethiol
SpectraBase Compound ID A8y8i2eChGV
InChI InChI=1S/C15H20S/c16-12-6-11-15(14-9-4-5-10-14)13-7-2-1-3-8-13/h1-3,7-9,15-16H,4-6,10-12H2
InChIKey CCENMOVXOWQSFI-UHFFFAOYSA-N
Mol Weight 232.38 g/mol
Molecular Formula C15H20S
Exact Mass 232.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 79sq7stgSJI
Name 4-(1-Cyclopentenyl)-4-phenyl-1-butanethiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.128571818 u
Formula C15H20S
InChI InChI=1S/C15H20S/c16-12-6-11-15(14-9-4-5-10-14)13-7-2-1-3-8-13/h1-3,7-9,15-16H,4-6,10-12H2
InChIKey CCENMOVXOWQSFI-UHFFFAOYSA-N
Molecular Weight 232.385 g/mol
SMILES C1(C(C=2C=CC=CC2)CCCS)=CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813345