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Octanedioic acid, 2-ethyl-, dimethyl ester
SpectraBase Compound ID 9EopqOeVVMk
InChI InChI=1S/C12H22O4/c1-4-10(12(14)16-3)8-6-5-7-9-11(13)15-2/h10H,4-9H2,1-3H3
InChIKey CWQKDKHZVKZZKC-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEraHX4cycu
Name dimethyl 2-ethyloctanedioate
Appearance Colorless liquid
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Formula C12H22O4
GC Oven Program Oven temp 260oc, sampling time 6-7 min, split injector
InChI InChI=1S/C12H22O4/c1-4-10(12(14)16-3)8-6-5-7-9-11(13)15-2/h10H,4-9H2,1-3H3
InChIKey CWQKDKHZVKZZKC-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Molecular Weight 230.304 g/mol
Reported Formula C12H22O4
SMILES COC(C(CCCCCC(=O)OC)CC)=O
SPLASH splash10-0pbi-9400000000-06f35e1d65b00bf41aca
Source of Spectrum EP3596038A1
Wiley ID 1877213