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3,5-Dimethyl-6-(1-methylbutyl)tetrahydropyran-2-one
SpectraBase Compound ID AtGlDzf88qr
InChI InChI=1S/C12H22O2/c1-5-6-8(2)11-9(3)7-10(4)12(13)14-11/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+/m1/s1
InChIKey AZBHSLUQWMFDHU-DBIOUOCHSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YECb4iU5I
Name 3,5-Dimethyl-6-(1-methylbutyl)tetrahydropyran-2-one
Alternate Name(s) 3,5-Dimethyl-6-pentan-2-yl-2-oxanone 3,5-Dimethyl-6-pentan-2-yl-oxan-2-one (3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]-2-oxanone (3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one
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Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-5-6-8(2)11-9(3)7-10(4)12(13)14-11/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+/m1/s1
InChIKey AZBHSLUQWMFDHU-DBIOUOCHSA-N
Molecular Weight 198.306 g/mol
SMILES C1(O[C@]([C@@](C[C@]1(C)[H])(C)[H])([C@@](CCC)(C)[H])[H])=O
SPLASH splash10-0a6r-9500000000-175dec1b78ae4a49de32
Source of Spectrum J-58-341-1
Wiley ID 1195925