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2-t-Butyl-6-methyl-5-(3-methylbutyl)[1,3]dioxan-4-one
SpectraBase Compound ID HpjKpAtWzkd
InChI InChI=1S/C14H26O3/c1-9(2)7-8-11-10(3)16-13(14(4,5)6)17-12(11)15/h9-11,13H,7-8H2,1-6H3
InChIKey DOCXYRGLBUHLKO-UHFFFAOYSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JV4ad1U2Qul
Name 2-t-Butyl-6-methyl-5-(3-methylbutyl)[1,3]dioxan-4-one
Alternate Name(s) 2-tert-Butyl-5-isoamyl-6-methyl-1,3-dioxan-4-one 2-tert-Butyl-5-isopentyl-6-methyl-1,3-dioxan-4-one 2-tert-Butyl-6-methyl-5-(3-methylbutyl)-1,3-dioxan-4-one
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Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-9(2)7-8-11-10(3)16-13(14(4,5)6)17-12(11)15/h9-11,13H,7-8H2,1-6H3
InChIKey DOCXYRGLBUHLKO-UHFFFAOYSA-N
Molecular Weight 242.359 g/mol
SMILES CC(C1OC(C(C(O1)=O)CCC(C)C)C)(C)C
SPLASH splash10-0a4r-9200000000-81dc866e91a51f4f0a35
Wiley ID 1483177