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4-Butyl-3,5-dioxypimelic acid - Dimethyl ester
SpectraBase Compound ID KVuFjxaEtFb
InChI InChI=1S/C13H20O6/c1-4-5-6-9(10(14)7-12(16)18-2)11(15)8-13(17)19-3/h9H,4-8H2,1-3H3
InChIKey NJUGZTNYFPVCDY-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51kWnkeVvd4
Name 4-Butyl-3,5-dioxypimelic acid - Dimethyl ester
Alternate Name(s) Dimethyl 4-butyl-3,5-dioxoheptanedioate
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Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-4-5-6-9(10(14)7-12(16)18-2)11(15)8-13(17)19-3/h9H,4-8H2,1-3H3
InChIKey NJUGZTNYFPVCDY-UHFFFAOYSA-N
Molecular Weight 272.297 g/mol
SMILES C(CC(=O)OC)(C(C(CC(=O)OC)=O)CCCC)=O
SPLASH splash10-0fvi-0900000000-3d59605c56147730ea17
Source of Spectrum F5-6-3082-3d
Wiley ID 1733582