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(3R,4aS,5S,7aS)-3-isobutyl-6-methylol-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol
SpectraBase Compound ID C3vNLVWEEs2
InChI InChI=1S/C13H22O3/c1-8(2)3-11-5-12-10(7-16-11)4-9(6-14)13(12)15/h4,8,10-15H,3,5-7H2,1-2H3/t10-,11-,12+,13-/m1/s1
InChIKey CRQQLDKACYRJEG-FVCCEPFGSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SNjbgQCvtT
Name (3R,4aS,5S,7aS)-3-isobutyl-6-methylol-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol
Alternate Name(s) (3R,4aS,5S,7aS)-6-(hydroxymethyl)-3-(2-methylpropyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol (3R,4aS,5S,7aS)-6-(hydroxymethyl)-3-isobutyl-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8(2)3-11-5-12-10(7-16-11)4-9(6-14)13(12)15/h4,8,10-15H,3,5-7H2,1-2H3/t10-,11-,12+,13-/m1/s1
InChIKey CRQQLDKACYRJEG-FVCCEPFGSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@]1([C@]2(C[C@](OC[C@]2(C=C1CO)[H])(CC(C)C)[H])[H])[H]
SPLASH splash10-0w2c-4900000000-1ec30cb4c502ea61358f
Source of Spectrum F-68-8807-33
Wiley ID 1573646