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1,2-Benzenedicarboxylic acid, 2-ethyl-4-methoxy-4-oxobutyl methyl ester
SpectraBase Compound ID LpFIZSETxUT
InChI InChI=1S/C16H20O6/c1-4-11(9-14(17)20-2)10-22-16(19)13-8-6-5-7-12(13)15(18)21-3/h5-8,11H,4,9-10H2,1-3H3
InChIKey DJIPHJTYDANLEQ-UHFFFAOYSA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkgiZ7cVa1P
Name 1,2-Benzenedicarboxylic acid, 2-ethyl-4-methoxy-4-oxobutyl methyl ester
CAS Registry Number 76644-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-4-11(9-14(17)20-2)10-22-16(19)13-8-6-5-7-12(13)15(18)21-3/h5-8,11H,4,9-10H2,1-3H3
InChIKey DJIPHJTYDANLEQ-UHFFFAOYSA-N
Molecular Weight 308.330 g/mol
SMILES c1(c(C(=O)OC)cccc1)C(OCC(CC(=O)OC)CC)=O
SPLASH splash10-03di-0900000000-ae403bbb962ff95caabe
Source of Spectrum KO-7-243-1
Synonyms 2-O-(2-ethyl-4-methoxy-4-oxobutyl) 1-O-methyl benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid O2-(2-ethyl-4-keto-4-methoxy-butyl) ester O1-methyl ester benzene-1,2-dicarboxylic acid O2-(2-ethyl-4-methoxy-4-oxobutyl) ester O1-methyl ester O2-(2-ethyl-4-methoxy-4-oxidanylidene-butyl) O1-methyl benzene-1,2-dicarboxylate O2-(2-ethyl-4-methoxy-4-oxo-butyl) O1-methyl benzene-1,2-dicarboxylate
Wiley ID 1309647