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1-[1-(Phenylthio)cyclohexyl]-3-buten-1-one

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

1-[1-(Phenylthio)cyclohexyl]-3-buten-1-one
SpectraBase Compound ID CjhAq4goVpI
InChI InChI=1S/C16H20OS/c1-2-9-15(17)16(12-7-4-8-13-16)18-14-10-5-3-6-11-14/h2-3,5-6,10-11H,1,4,7-9,12-13H2
InChIKey YLIKEQKKVGVGMK-UHFFFAOYSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FjMQIieBLA5
Name 1-[1-(Phenylthio)cyclohexyl]-3-buten-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.123486437 u
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-2-9-15(17)16(12-7-4-8-13-16)18-14-10-5-3-6-11-14/h2-3,5-6,10-11H,1,4,7-9,12-13H2
InChIKey YLIKEQKKVGVGMK-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C(CC=C)(=O)C1(CCCCC1)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808751