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(1-(Methylthio)propyl)benzene
SpectraBase Compound ID 9k8dOgHLAsr
InChI InChI=1S/C10H14S/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey HFFXYIAJXCLEPG-UHFFFAOYSA-N
Mol Weight 166.28 g/mol
Molecular Formula C10H14S
Exact Mass 166.081622 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GV3JLvdCGp3
Name (1-(Methylthio)propyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.081621625 u
Formula C10H14S
InChI InChI=1S/C10H14S/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey HFFXYIAJXCLEPG-UHFFFAOYSA-N
Molecular Weight 166.282 g/mol
SMILES C1=CC(=CC=C1)C(SC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900348