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1-(Phenylthiomethyl)cyclodecene
SpectraBase Compound ID DL4djL7eddv
InChI InChI=1S/C17H24S/c1-2-4-7-11-16(12-8-5-3-1)15-18-17-13-9-6-10-14-17/h6,9-11,13-14H,1-5,7-8,12,15H2/b16-11+
InChIKey XXXYXFJGAXWRHR-LFIBNONCSA-N
Mol Weight 260.44 g/mol
Molecular Formula C17H24S
Exact Mass 260.159872 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GQ8K5FLCSES
Name 1-(Phenylthiomethyl)cyclodecene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.159871947 u
Formula C17H24S
InChI InChI=1S/C17H24S/c1-2-4-7-11-16(12-8-5-3-1)15-18-17-13-9-6-10-14-17/h6,9-11,13-14H,1-5,7-8,12,15H2/b16-11+
InChIKey XXXYXFJGAXWRHR-LFIBNONCSA-N
Molecular Weight 260.439 g/mol
SMILES C1\C=C/(CCCCCCC1)CSC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835518