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

*Links on SpectraBase are not permalinks.

Acetoxyacetic acid, 3,4-dimethylphenyl ester

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

Acetoxyacetic acid, 3,4-dimethylphenyl ester
SpectraBase Compound ID 6Jcvwghub5U
InChI InChI=1S/C12H14O4/c1-8-4-5-11(6-9(8)2)16-12(14)7-15-10(3)13/h4-6H,7H2,1-3H3
InChIKey LLPUZWCCHFJIGV-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 aqAQQ6KYL0
Name Acetoxyacetic acid, 3,4-dimethylphenyl 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/c1-8-4-5-11(6-9(8)2)16-12(14)7-15-10(3)13/h4-6H,7H2,1-3H3
InChIKey LLPUZWCCHFJIGV-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(COC(C)=O)(OC1=CC=C(C)C(C)=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882484