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1-Cyclohexene-1,4-dicarboxylic acid, 2,5-dihydroxy-, diethyl ester, cis-
SpectraBase Compound ID IxPE8waK6U0
InChI InChI=1S/C12H18O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7,9,13-14H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKey JTEDJNGYWGLEJT-IONNQARKSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 598ezwiDLM
Name 1-Cyclohexene-1,4-dicarboxylic acid, 2,5-dihydroxy-, diethyl ester, cis-
Alternate Name(s) Diethyl (4S,5R)-2,5-dihydroxy-1-cyclohexene-1,4-dicarboxylate Ethyl 2-c,5-c-dihydroxycyclohexane-1-r-4-t-dicarboxylate
CAS Registry Number 70044-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7,9,13-14H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKey JTEDJNGYWGLEJT-IONNQARKSA-N
Molecular Weight 258.270 g/mol
SMILES O[C@@]1(CC(=C(C[C@@]1(C(=O)OCC)[H])O)C(=O)OCC)[H]
SPLASH splash10-00xu-0930000000-206e52d1d98f56761e48
Source of Spectrum H-62-159-0
Wiley ID 1261409