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Benzyl 1-phenylpropyl sulfide

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

Benzyl 1-phenylpropyl sulfide
SpectraBase Compound ID AnBGakJCvC
InChI InChI=1S/C16H18S/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
InChIKey UPQSYIWQNUGMSL-UHFFFAOYSA-N
Mol Weight 242.38 g/mol
Molecular Formula C16H18S
Exact Mass 242.112922 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4HYeTVPYt7V
Name Benzyl 1-phenylpropyl sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.112921754 u
Formula C16H18S
InChI InChI=1S/C16H18S/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
InChIKey UPQSYIWQNUGMSL-UHFFFAOYSA-N
Molecular Weight 242.380 g/mol
SMILES C(SCC=1C=CC=CC1)(CC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879623