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(1R,2S,3S,6R)-6-benzoxycyclohex-4-ene-1,2,3-triol
SpectraBase Compound ID ACs8PK52pLv
InChI InChI=1S/C13H16O4/c14-10-6-7-11(13(16)12(10)15)17-8-9-4-2-1-3-5-9/h1-7,10-16H,8H2/t10-,11+,12-,13-/m0/s1
InChIKey AJOMIWLOOAMGCB-RNJOBUHISA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BZb05DF8ak
Name (1R,2S,3S,6R)-6-benzoxycyclohex-4-ene-1,2,3-triol
Alternate Name(s) (1R,2S,3S,6R)-6-benzyloxycyclohex-4-ene-1,2,3-triol (1R,2S,3S,6R)-6-phenylmethoxycyclohex-4-ene-1,2,3-triol
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c14-10-6-7-11(13(16)12(10)15)17-8-9-4-2-1-3-5-9/h1-7,10-16H,8H2/t10-,11+,12-,13-/m0/s1
InChIKey AJOMIWLOOAMGCB-RNJOBUHISA-N
Molecular Weight 236.267 g/mol
SMILES O[C@]1(C=C[C@]([C@@]([C@]1(O)[H])(O)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9300000000-590a872c0ddd450553e3
Source of Spectrum K1-2003-1965-22
Wiley ID 1521034