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5-Phenylvaleric acid, 2-ethylhexyl ester

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

5-Phenylvaleric acid, 2-ethylhexyl ester
SpectraBase Compound ID IzPYoGApUEY
InChI InChI=1S/C19H30O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3
InChIKey SLWMHUHQQGJULD-UHFFFAOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4fNuhRcXp4v
Name 5-Phenylvaleric acid, 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.224580204 u
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3
InChIKey SLWMHUHQQGJULD-UHFFFAOYSA-N
SMILES C(CCC(OCC(CCCC)CC)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822751