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Butanedioic acid, mono(3,4-dimethylphenyl) ester

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Butanedioic acid, mono(3,4-dimethylphenyl) ester
SpectraBase Compound ID FN8YFQORoNz
InChI InChI=1S/C12H14O4/c1-8-3-4-10(7-9(8)2)16-12(15)6-5-11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey PNSKMJTZCYXFRS-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmfjVcb9qA8
Name Butanedioic acid, mono(3,4-dimethylphenyl) ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8-3-4-10(7-9(8)2)16-12(15)6-5-11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey PNSKMJTZCYXFRS-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(CCC(Oc1ccc(C)c(c1)C)=O)=O
SPLASH splash10-00b9-9400000000-58c65179b488be2d6213
Source of Spectrum JX-2015-0-495
Synonyms 4-(3,4-dimethylphenoxy)-4-oxobutanoic acid 4-(3,4-dimethylphenoxy)-4-oxo-butanoic acid 4-(3,4-dimethylphenoxy)-4-oxidanylidene-butanoic acid
Wiley ID 1720431