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

*Links on SpectraBase are not permalinks.

Ethyl 3,5,6-trimethyl-p-benzoquinone-2-carboxylate

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

Ethyl 3,5,6-trimethyl-p-benzoquinone-2-carboxylate
SpectraBase Compound ID 9L6gFaeaWvf
InChI InChI=1S/C12H14O4/c1-5-16-12(15)9-8(4)10(13)6(2)7(3)11(9)14/h5H2,1-4H3
InChIKey RDQVAKXTXQSRBM-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 1PuMDtaVs66
Name Ethyl 3,5,6-trimethyl-p-benzoquinone-2-carboxylate
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/c1-5-16-12(15)9-8(4)10(13)6(2)7(3)11(9)14/h5H2,1-4H3
InChIKey RDQVAKXTXQSRBM-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)C)C)C)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97481