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

*Links on SpectraBase are not permalinks.

Butanedioic acid, mono(2,4,6-trimethylphenyl) ester

View entire compound with spectra: 1 MS (GC)

Butanedioic acid, mono(2,4,6-trimethylphenyl) ester
SpectraBase Compound ID NFSesqmB5
InChI InChI=1S/C13H16O4/c1-8-6-9(2)13(10(3)7-8)17-12(16)5-4-11(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKey GFDAQZQPKFDKLY-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2FItwXGKMqh
Name Butanedioic acid, mono(2,4,6-trimethylphenyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-6-9(2)13(10(3)7-8)17-12(16)5-4-11(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKey GFDAQZQPKFDKLY-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CCC(Oc1c(cc(C)cc1C)C)=O)=O
SPLASH splash10-000l-9500000000-877d016719e64fa07d00
Source of Spectrum JX-2015-1-61
Synonyms 4-(mesityloxy)-4-oxobutanoic acid 4-Oxo-4-(2,4,6-trimethylphenoxy)butanoic acid 4-Oxidanylidene-4-(2,4,6-trimethylphenoxy)butanoic acid
Wiley ID 1720925