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Hexanedioic acid, ethyl methyl ester
SpectraBase Compound ID 14aAXJATbsX
InChI InChI=1S/C9H16O4/c1-3-13-9(11)7-5-4-6-8(10)12-2/h3-7H2,1-2H3
InChIKey CWOVOJUKEQPFBA-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D1dSZepIe
Name Hexanedioic acid, ethyl methyl ester
CAS Registry Number 18891-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-3-13-9(11)7-5-4-6-8(10)12-2/h3-7H2,1-2H3
InChIKey CWOVOJUKEQPFBA-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES C(=O)(CCCCC(OCC)=O)OC
SPLASH splash10-0bvl-9400000000-ddfa31a82122fb650c37
Source of Spectrum HE-1982-0-0
Synonyms 1-Ethyl 6-methyl hexanedioate 6-O-ethyl 1-O-methyl hexanedioate adipic acid O6-ethyl ester O1-methyl ester Adipic acid, ethyl methyl ester Ethyl methyl adipate Ethyl methyl ester of hexanedioic acid Hexanedioic acid O6-ethyl ester O1-methyl ester Methyl ethyl adipate O6-ethyl O1-methyl hexanedioate
Wiley ID 1184352