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

*Links on SpectraBase are not permalinks.

Pentanoic acid, 5-phenoxy-, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Pentanoic acid, 5-phenoxy-, ethyl ester
SpectraBase Compound ID 4HSdjiVLxqR
InChI InChI=1S/C13H18O3/c1-2-15-13(14)10-6-7-11-16-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKey DNCNZDFEQZJZEN-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 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 1wv2iMS21V8
Name Pentanoic acid, 5-phenoxy-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-15-13(14)10-6-7-11-16-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKey DNCNZDFEQZJZEN-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(OC1=CC=CC=C1)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977098