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

*Links on SpectraBase are not permalinks.

Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
SpectraBase Compound ID 4xobfazBk8n
InChI InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey KRAHENMBSVAAHD-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 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 FuPgwVjqyMo
Name Benzenepropanoic acid, 4-methoxy-.beta.-oxo-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey KRAHENMBSVAAHD-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES CCOC(=O)CC(=O)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981748