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5-Phenylvaleric acid, tridecyl ester

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

5-Phenylvaleric acid, tridecyl ester
SpectraBase Compound ID 27D6kMAwAQm
InChI InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-17-22-26-24(25)21-16-15-20-23-18-13-12-14-19-23/h12-14,18-19H,2-11,15-17,20-22H2,1H3
InChIKey FVJLOOXMSXBFRL-UHFFFAOYSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4VnG4cigWU4
Name 5-Phenylvaleric acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.302830526 u
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-17-22-26-24(25)21-16-15-20-23-18-13-12-14-19-23/h12-14,18-19H,2-11,15-17,20-22H2,1H3
InChIKey FVJLOOXMSXBFRL-UHFFFAOYSA-N
Molecular Weight 360.582 g/mol
SMILES C(CCC(OCCCCCCCCCCCCC)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954588