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Cyclohexyl-.beta.-phenylpropionate

View entire compound with spectra: 1 NMR, and 1 FTIR

Cyclohexyl-.beta.-phenylpropionate
SpectraBase Compound ID JGSAx4Y3jxj
InChI InChI=1S/C15H20O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey VVJUKSKDOHGWJE-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DvitH0nH9Jk
Name Cyclohexyl-.beta.-phenylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey VVJUKSKDOHGWJE-UHFFFAOYSA-N
Molecular Weight 232.323 g/mol
SMILES C1(CCCCC1)OC(=O)CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84182