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7-Hexyl-2-(5-hydroxypentyl)oxepan-3-one

View entire compound with spectra: 1 MS (GC)

7-Hexyl-2-(5-hydroxypentyl)oxepan-3-one
SpectraBase Compound ID 3NPTQDdDO4L
InChI InChI=1S/C17H32O3/c1-2-3-4-6-10-15-11-9-12-16(19)17(20-15)13-7-5-8-14-18/h15,17-18H,2-14H2,1H3/t15-,17+/m0/s1
InChIKey SNJXPPORBIXJJD-DOTOQJQBSA-N
Mol Weight 284.4 g/mol
Molecular Formula C17H32O3
Exact Mass 284.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PESSMvFf5H
Name 7-Hexyl-2-(5-hydroxypentyl)oxepan-3-one
Alternate Name(s) (2R,7S)-7-Hexyl-2-(5-hydroxy-pentyl)-oxepan-3-one 7-Hexyl-2-(5-hydroxypentyl)-3-oxepanone (2R,7S)-7-hexyl-2-(5-hydroxypentyl)-3-oxepanone (2R,7S)-7-hexyl-2-(5-oxidanylpentyl)oxepan-3-one
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Formula C17H32O3
InChI InChI=1S/C17H32O3/c1-2-3-4-6-10-15-11-9-12-16(19)17(20-15)13-7-5-8-14-18/h15,17-18H,2-14H2,1H3/t15-,17+/m0/s1
InChIKey SNJXPPORBIXJJD-DOTOQJQBSA-N
Molecular Weight 284.440 g/mol
SMILES OCCCCC[C@]1(O[C@](CCCC1=O)(CCCCCC)[H])[H]
SPLASH splash10-014i-0930000000-6a57422567b8949a93a0
Source of Spectrum KC-0-504-6
Wiley ID 780514