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1,1'-Dibutyl 5-Methyl Citrate

View entire compound with spectra: 1 MS (GC)

1,1'-Dibutyl 5-Methyl Citrate
SpectraBase Compound ID 3rMqd95CTyN
InChI InChI=1S/C15H26O7/c1-4-6-8-21-13(17)11-15(19,10-12(16)20-3)14(18)22-9-7-5-2/h19H,4-11H2,1-3H3
InChIKey GECUTYNFUAIVCO-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C15H26O7
Exact Mass 318.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6DLxTfjCjE
Name 1,1'-Dibutyl 5-Methyl Citrate
Alternate Name(s) 1,2-Dibutyl 3-methyl 2-hydroxy-1,2,3-propanetricarboxylate 1-O,2-O-dibutyl 3-O-methyl 2-hydroxypropane-1,2,3-tricarboxylate O1,O2-dibutyl O3-methyl 2-hydroxypropane-1,2,3-tricarboxylate O1,O2-dibutyl O3-methyl 2-oxidanylpropane-1,2,3-tricarboxylate
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Formula C15H26O7
InChI InChI=1S/C15H26O7/c1-4-6-8-21-13(17)11-15(19,10-12(16)20-3)14(18)22-9-7-5-2/h19H,4-11H2,1-3H3
InChIKey GECUTYNFUAIVCO-UHFFFAOYSA-N
Molecular Weight 318.366 g/mol
SMILES OC(CC(=O)OCCCC)(CC(=O)OC)C(=O)OCCCC
SPLASH splash10-00mo-0930000000-374bcc59372ffde2eecd
Source of Spectrum X4-25-292-0
Wiley ID 1586202