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5,5-Dimethyl-2-(7-hydroxy-n-heptyl)-2-n-hexyl-1,3-dioxane
SpectraBase Compound ID GsKf1A3rmQ3
InChI InChI=1S/C19H38O3/c1-4-5-6-10-13-19(14-11-8-7-9-12-15-20)21-16-18(2,3)17-22-19/h20H,4-17H2,1-3H3
InChIKey DJFXSECKFGLPBK-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C19H38O3
Exact Mass 314.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fvk4a5Jn11I
Name 5,5-Dimethyl-2-(7-hydroxy-n-heptyl)-2-n-hexyl-1,3-dioxane
Alternate Name(s) 7-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)-1-heptanol
Comments Less than 3 mono-isotopic peaks
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Formula C19H38O3
InChI InChI=1S/C19H38O3/c1-4-5-6-10-13-19(14-11-8-7-9-12-15-20)21-16-18(2,3)17-22-19/h20H,4-17H2,1-3H3
InChIKey DJFXSECKFGLPBK-UHFFFAOYSA-N
Molecular Weight 314.510 g/mol
SMILES OCCCCCCCC1(OCC(CO1)(C)C)CCCCCC
SPLASH splash10-004j-0790000000-8104e398bf5a5a883454
Source of Spectrum I-59-278-0
Wiley ID 1315344