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

*Links on SpectraBase are not permalinks.

4-oxo-4-Phenylbutyric acid, tridecyl ester

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

4-oxo-4-Phenylbutyric acid, tridecyl ester
SpectraBase Compound ID DvZ9alGmieM
InChI InChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-15-20-26-23(25)19-18-22(24)21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3
InChIKey OJVFWWBKOTVKAK-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 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 5qCgobRLgXL
Name 4-oxo-4-Phenylbutyric acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.266445016 u
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-15-20-26-23(25)19-18-22(24)21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3
InChIKey OJVFWWBKOTVKAK-UHFFFAOYSA-N
Molecular Weight 360.538 g/mol
SMILES C(C(OCCCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888391