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Pimelic acid, dimethyl ester
SpectraBase Compound ID GPbVGJNE4cI
InChI InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChIKey SHWINQXIGSEZAP-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 7h7FRpdBHMW
Name Heptanedioic acid dimethyl ester
Alternate Name(s) Dimethyl pimelate
Comments MONAID: JP001717
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Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChIKey SHWINQXIGSEZAP-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 188.223 g/mol
SMILES COC(=O)CCCCCC(=O)OC
SPLASH splash10-06di-9700000000-40becaaa35ab0a7af209
Source of Spectrum SRH-2022-1717-0
Wiley ID 1824119