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(1S,2S,3R,5R)-2,3-O-Isopropylidene-5-tert-butylcyclohexan-1,2,3-triol
SpectraBase Compound ID 9fUVNl5qhG
InChI InChI=1S/C13H24O3/c1-12(2,3)8-6-9(14)11-10(7-8)15-13(4,5)16-11/h8-11,14H,6-7H2,1-5H3/t8-,9+,10-,11+/m1/s1
InChIKey NKFFDTRBSVLPTG-YTWAJWBKSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzKu0Za8EvX
Name (1S,2S,3R,5R)-2,3-O-Isopropylidene-5-tert-butylcyclohexan-1,2,3-triol
Alternate Name(s) (1RS,2RS,3SR,5SR)-2,3-O-Isopropylidene-5-tert-butylcyclohexan-1,2,3-triol (3aS,4S,6R,7aR)-6-tert-butyl-2,2-dimethylhexahydro-1,3-benzodioxol-4-ol
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Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-12(2,3)8-6-9(14)11-10(7-8)15-13(4,5)16-11/h8-11,14H,6-7H2,1-5H3/t8-,9+,10-,11+/m1/s1
InChIKey NKFFDTRBSVLPTG-YTWAJWBKSA-N
Molecular Weight 228.332 g/mol
SMILES O[C@@]1([C@]2([C@](OC(O2)(C)C)(C[C@@](C1)(C(C)(C)C)[H])[H])[H])[H]
SPLASH splash10-0a4i-0920000000-fa552e0b5744b1e51c5f
Source of Spectrum KC-0-49-20
Wiley ID 787031