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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 H6NRCNPdfDx
Name Octanedioic acid, 2-ethyl-, dimethyl ester
Alternate Name(s) 2-Ethyloctanedioic acid dimethyl ester Dimethyl 2-ethyloctanedioate 2-Ethylsuberic acid dimethyl ester
CAS Registry Number 55191-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
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
Molecular Weight 230.304 g/mol
SMILES COC(C(CC)CCCCCC(OC)=O)=O
SPLASH splash10-0pvu-9400000000-992807db40ff77813c30
Source of Spectrum AA-0-1637-1
Wiley ID 30848