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(3S,5S)-3,5-dihydroxy-1-cyclohexenecarboxylic acid methyl ester
SpectraBase Compound ID FMrYF18vLZc
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+/m1/s1
InChIKey FEFNGZXKDZBHPZ-RQJHMYQMSA-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 EPIMmX0TazU
Name (3S,5S)-3,5-dihydroxy-1-cyclohexenecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/m1/s1
InChIKey FEFNGZXKDZBHPZ-RQJHMYQMSA-N
Molecular Weight 172.180 g/mol
SMILES O[C@]1(C[C@](CC(=C1)C(=O)OC)(O)[H])[H]
SPLASH splash10-0006-9000000000-b17d61eb5a4cfcff63c1
Source of Spectrum KD-13-543-6
Synonyms (3S,5S)-3,5-dihydroxycyclohexene-1-carboxylic acid methyl ester Methyl (3S,5S)-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Methyl (3S,5S)-3,5-dihydroxycyclohexene-1-carboxylate
Wiley ID 1635019