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3-[(Phenylthio)methyl]-4,4-dimethylpentene

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3-[(Phenylthio)methyl]-4,4-dimethylpentene
SpectraBase Compound ID 4LrqCNUEoMc
InChI InChI=1S/C14H20S/c1-12(10-14(2,3)4)11-15-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3
InChIKey UTIPJYCQMBXZIS-UHFFFAOYSA-N
Mol Weight 220.37 g/mol
Molecular Formula C14H20S
Exact Mass 220.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 66uTNKEw0Km
Name 3-[(Phenylthio)methyl]-4,4-dimethylpentene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.128571818 u
Formula C14H20S
InChI InChI=1S/C14H20S/c1-12(10-14(2,3)4)11-15-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3
InChIKey UTIPJYCQMBXZIS-UHFFFAOYSA-N
Molecular Weight 220.374 g/mol
SMILES C(CC(C)(C)C)(=C)CSC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917513