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(1S,2R)-3-[(1R)-1-hydroxyallyl]cyclohexa-3,5-diene-1,2-diol
SpectraBase Compound ID AyGXJ3jJTdJ
InChI InChI=1S/C9H12O3/c1-2-7(10)6-4-3-5-8(11)9(6)12/h2-5,7-12H,1H2/t7-,8+,9-/m1/s1
InChIKey RSNCZFWHXDPKGJ-HRDYMLBCSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdFBHMLeVeT
Name (1S,2R)-3-[(1R)-1-hydroxyallyl]cyclohexa-3,5-diene-1,2-diol
Alternate Name(s) (1S,2R)-3-[(1R)-1-hydroxyprop-2-enyl]cyclohexa-3,5-diene-1,2-diol (1S,2R)-3-[(1R)-1-oxidanylprop-2-enyl]cyclohexa-3,5-diene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-2-7(10)6-4-3-5-8(11)9(6)12/h2-5,7-12H,1H2/t7-,8+,9-/m1/s1
InChIKey RSNCZFWHXDPKGJ-HRDYMLBCSA-N
Molecular Weight 168.192 g/mol
SMILES O[C@]1(C=CC=C([C@]1(O)[H])[C@@](C=C)(O)[H])[H]
SPLASH splash10-0f7o-5900000000-ac9a29664bd5c49aaca5
Source of Spectrum KC-0-1350-4
Wiley ID 830583