For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-oxo-4-Phenylbutyric acid, pentadecyl ester

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

4-oxo-4-Phenylbutyric acid, pentadecyl ester
SpectraBase Compound ID COzl7uAI1vC
InChI InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-25(27)21-20-24(26)23-18-15-14-16-19-23/h14-16,18-19H,2-13,17,20-22H2,1H3
InChIKey RXWGJIYFTATTRN-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID J6rs27kiWEu
Name 4-oxo-4-Phenylbutyric acid, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.297745145 u
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-25(27)21-20-24(26)23-18-15-14-16-19-23/h14-16,18-19H,2-13,17,20-22H2,1H3
InChIKey RXWGJIYFTATTRN-UHFFFAOYSA-N
Molecular Weight 388.592 g/mol
SMILES C(C(OCCCCCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901303