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(1/2,3-)-1-Benzyloxy-2,3-dihydroxycyclohexane
SpectraBase Compound ID 5bcPN7qJUlq
InChI InChI=1S/C13H18O3/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-15H,4,7-9H2/t11-,12-,13-/m1/s1
InChIKey XNPUTMCRCYHRDV-JHJVBQTASA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvBNJk2kpyO
Name (1/2,3-)-1-Benzyloxy-2,3-dihydroxycyclohexane
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-15H,4,7-9H2/t11-,12-,13-/m1/s1
InChIKey XNPUTMCRCYHRDV-JHJVBQTASA-N
Molecular Weight 222.284 g/mol
SMILES O[C@@]1(CCC[C@]([C@@]1(O)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000000000-c9e4cacffbb41bb6ea67
Source of Spectrum QE-2-55-48
Synonyms (1R,2R,3R)-3-Benzyloxy-cyclohexane-1,2-diol (1R,2R,3R)-3-benzyloxycyclohexane-1,2-diol (1R,2R,3R)-3-phenylmethoxycyclohexane-1,2-diol
Wiley ID 842570