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(3R,5S)-3,5-dihydroxy-1-cyclohexenecarboxylic acid methyl ester
SpectraBase Compound ID H4JgF2hz9j3
InChI InChI=1S/C8H12O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2,6-7,9-10H,3-4H2,1H3/t6-,7-/m0/s1
InChIKey FEFNGZXKDZBHPZ-BQBZGAKWSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnmVELTgD9c
Name (3R,5S)-3,5-dihydroxy-1-cyclohexenecarboxylic acid methyl ester
Alternate Name(s) (3R,5S)-3,5-dihydroxycyclohexene-1-carboxylic acid methyl ester Methyl (3R,5S)-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Methyl (3R,5S)-3,5-dihydroxycyclohexene-1-carboxylate
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Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2,6-7,9-10H,3-4H2,1H3/t6-,7-/m0/s1
InChIKey FEFNGZXKDZBHPZ-BQBZGAKWSA-N
Molecular Weight 172.180 g/mol
SMILES O[C@@]1(C[C@](CC(=C1)C(=O)OC)(O)[H])[H]
SPLASH splash10-0002-8900000000-7fe3d66524fd13ba2187
Source of Spectrum KD-13-543-5
Wiley ID 1635021