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cis-(1S,2R)-3-(Acetoxymethyl)cyclohexa-3,5-diene-1,2-diol
SpectraBase Compound ID 7IpZUlcL637
InChI InChI=1S/C9H12O4/c1-6(10)13-5-7-3-2-4-8(11)9(7)12/h2-4,8-9,11-12H,5H2,1H3/t8-,9+/m0/s1
InChIKey VIFGTBOCRRBWFL-DTWKUNHWSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8nlqknthrH
Name cis-(1S,2R)-3-(Acetoxymethyl)cyclohexa-3,5-diene-1,2-diol
Alternate Name(s) [(5S,6R)-5,6-dihydroxy-1,3-cyclohexadien-1-yl]methyl acetate Acetic acid [(5S,6R)-5,6-dihydroxy-1-cyclohexa-1,3-dienyl]methyl ester [(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]methyl acetate [(5S,6R)-5,6-bis(oxidanyl)cyclohexa-1,3-dien-1-yl]methyl ethanoate
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Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-6(10)13-5-7-3-2-4-8(11)9(7)12/h2-4,8-9,11-12H,5H2,1H3/t8-,9+/m0/s1
InChIKey VIFGTBOCRRBWFL-DTWKUNHWSA-N
Molecular Weight 184.191 g/mol
SMILES O[C@]1(C=CC=C([C@]1(O)[H])COC(=O)C)[H]
SPLASH splash10-00di-0900000000-70b8cd7623887688944b
Source of Spectrum KC-0-1348-2
Wiley ID 830594