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(+)-cis-(1S,2R)-3-[(1'R)-1'-Hydroxy-2',2'-dimethylpropyl]-3,5-cyclohexadiene-1,2-diol

View entire compound with spectra: 1 MS (GC)

(+)-cis-(1S,2R)-3-[(1'R)-1'-Hydroxy-2',2'-dimethylpropyl]-3,5-cyclohexadiene-1,2-diol
SpectraBase Compound ID 4nKtRHbOPnP
InChI InChI=1S/C11H18O3/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,8-10,12-14H,1-3H3/t8-,9+,10-/m0/s1
InChIKey ZPUBYGXYTJEDNW-AEJSXWLSSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwOACVUTEs1
Name (+)-cis-(1S,2R)-3-[(1'R)-1'-Hydroxy-2',2'-dimethylpropyl]-3,5-cyclohexadiene-1,2-diol
Alternate Name(s) (1S,2R)-3-((R)-1-hydroxy-2,2-dimethylpropyl)cyclohexa-3,5-diene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13/h4-6,8-10,12-14H,1-3H3/t8-,9+,10-/m0/s1
InChIKey ZPUBYGXYTJEDNW-AEJSXWLSSA-N
Molecular Weight 198.262 g/mol
SMILES O[C@@]1([C@](O)(C(=CC=C1)[C@](O)(C(C)(C)C)[H])[H])[H]
SPLASH splash10-0a4l-9600000000-045f27bc30a7909d2911
Source of Spectrum ASC-357-1892-7gSR'
Wiley ID 1785077