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Octanoic acid, 3-phenyl-2-propenyl ester

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

Octanoic acid, 3-phenyl-2-propenyl ester
SpectraBase Compound ID uiM2w5GWJU
InChI InChI=1S/C17H24O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,10-13H,2-5,9,14-15H2,1H3/b13-10+
InChIKey PVZVJEAWIPTITN-JLHYYAGUSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lfpia7FJYk3
Name Octanoic acid, 3-phenyl-2-propenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,10-13H,2-5,9,14-15H2,1H3/b13-10+
InChIKey PVZVJEAWIPTITN-JLHYYAGUSA-N
Molecular Weight 260.377 g/mol
SMILES C1=CC=CC=C1\C=C\COC(=O)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823297