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2-Cyclohexene-1-carboxylic acid, 1,4-dihydroxy-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID Ktq2HbuvTW9
InChI InChI=1S/C8H12O4/c1-12-7(10)8(11)4-2-6(9)3-5-8/h2,4,6,9,11H,3,5H2,1H3/t6-,8+/m0/s1
InChIKey SBDJCBNUJZEAIT-POYBYMJQSA-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 6aWUo9jTDEE
Name 2-Cyclohexene-1-carboxylic acid, 1,4-dihydroxy-, methyl ester, trans-(.+-.)-
CAS Registry Number 115162-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-12-7(10)8(11)4-2-6(9)3-5-8/h2,4,6,9,11H,3,5H2,1H3/t6-,8+/m0/s1
InChIKey SBDJCBNUJZEAIT-POYBYMJQSA-N
Molecular Weight 172.180 g/mol
SMILES O[C@]1(C=C[C@](C(=O)OC)(CC1)O)[H]
SPLASH splash10-01ot-7900000000-0b8c67211bae301277d9
Source of Spectrum J-53-3264-10
Synonyms Methyl (1S,4R)-1,4-dihydroxy-2-cyclohexene-1-carboxylate Methyl 1.beta.,4.alpha.-dihydroxycyclohex-2-ene-1-carboxylate
Wiley ID 1168483