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5-Phenylvaleric acid, oct-3-en-2-yl ester

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

5-Phenylvaleric acid, oct-3-en-2-yl ester
SpectraBase Compound ID CkFJAbsq0L2
InChI InChI=1S/C19H28O2/c1-3-4-5-7-12-17(2)21-19(20)16-11-10-15-18-13-8-6-9-14-18/h6-9,12-14,17H,3-5,10-11,15-16H2,1-2H3/b12-7+
InChIKey PKEKAUQVNKEXQR-KPKJPENVSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2TcC1WTROJB
Name 5-Phenylvaleric acid, oct-3-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-3-4-5-7-12-17(2)21-19(20)16-11-10-15-18-13-8-6-9-14-18/h6-9,12-14,17H,3-5,10-11,15-16H2,1-2H3/b12-7+
InChIKey PKEKAUQVNKEXQR-KPKJPENVSA-N
SMILES C(CCC(OC(\C=C\CCCC)C)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904209