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2,2-Dimethylpentanoic acid 4-(2,2-dimethyl-1-oxopentoxy)butyl ester
SpectraBase Compound ID 2vKpHtL5MH0
InChI InChI=1S/C18H34O4/c1-7-11-17(3,4)15(19)21-13-9-10-14-22-16(20)18(5,6)12-8-2/h7-14H2,1-6H3
InChIKey SLXYITRNEFUKIR-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oBXmaL0nSa
Name 2,2-Dimethylpentanoic acid 4-(2,2-dimethyl-1-oxopentoxy)butyl ester
Alternate Name(s) 2,2-Dimethylvaleric acid 4-(2,2-dimethylpentanoyloxy)butyl ester 4-(2,2-dimethylpentanoyloxy)butyl 2,2-dimethylpentanoate Butane-1,4-diol, 2,2-dimethylpentanoic diester
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Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-7-11-17(3,4)15(19)21-13-9-10-14-22-16(20)18(5,6)12-8-2/h7-14H2,1-6H3
InChIKey SLXYITRNEFUKIR-UHFFFAOYSA-N
Molecular Weight 314.466 g/mol
SMILES CC(C(OCCCCOC(C(CCC)(C)C)=O)=O)(C)CCC
SPLASH splash10-000f-9300000000-068090255a69cc5be7a1
Wiley ID 1491285