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cis-(1S,2R)-3-[(R)-1'-Hydroxybutyl]cyclohexa-3,5-diene-1,2-diol
SpectraBase Compound ID JfNgjuUunSz
InChI InChI=1S/C10H16O3/c1-2-4-8(11)7-5-3-6-9(12)10(7)13/h3,5-6,8-13H,2,4H2,1H3/t8-,9+,10-/m1/s1
InChIKey VHHSTFHBAMFCPV-KXUCPTDWSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xchT970tHU
Name cis-(1S,2R)-3-[(R)-1'-Hydroxybutyl]cyclohexa-3,5-diene-1,2-diol
Alternate Name(s) (1S,2R)-3-[(1R)-1-hydroxybutyl]-3,5-cyclohexadiene-1,2-diol (1S,2R)-3-[(1R)-1-oxidanylbutyl]cyclohexa-3,5-diene-1,2-diol
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Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-2-4-8(11)7-5-3-6-9(12)10(7)13/h3,5-6,8-13H,2,4H2,1H3/t8-,9+,10-/m1/s1
InChIKey VHHSTFHBAMFCPV-KXUCPTDWSA-N
Molecular Weight 184.235 g/mol
SMILES O[C@]1(C=CC=C([C@]1(O)[H])[C@](O)(CCC)[H])[H]
SPLASH splash10-0a59-0900000000-2ec34ecbd987801b00e9
Source of Spectrum KC-0-1350-4
Wiley ID 830585