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

*Links on SpectraBase are not permalinks.

Butyric acid, 4-phenyl-, butyl ester

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

Butyric acid, 4-phenyl-, butyl ester
SpectraBase Compound ID AgFwAOz1ilu
InChI InChI=1S/C14H20O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKey TZXOYNZQFOBOTE-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 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 D2rLcaOrMkn
Name Butyric acid, 4-phenyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKey TZXOYNZQFOBOTE-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937319