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1,4-Cyclohexanedicarboxylic acid, 2,5-dihydroxy-, diethyl ester, (1.alpha.,2.alpha.,4.beta.,5.beta.)-
SpectraBase Compound ID 6lT8rbWLb5W
InChI InChI=1S/C12H20O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-10,13-14H,3-6H2,1-2H3/t7-,8+,9+,10-
InChIKey LIDAQHTYHFTVGI-FIRGSJFUSA-N
Mol Weight 260.29 g/mol
Molecular Formula C12H20O6
Exact Mass 260.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fLnxbNYMi
Name 1,4-Cyclohexanedicarboxylic acid, 2,5-dihydroxy-, diethyl ester, (1.alpha.,2.alpha.,4.beta.,5.beta.)-
Alternate Name(s) Diethyl (1R,2S,4S,5R)-2,5-dihydroxy-1,4-cyclohexanedicarboxylate Ethyl 2-c,5-t-dihydroxycyclohexan-1-r-4-t-dicarboxylate
CAS Registry Number 70052-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O6
InChI InChI=1S/C12H20O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-10,13-14H,3-6H2,1-2H3/t7-,8+,9+,10-
InChIKey LIDAQHTYHFTVGI-FIRGSJFUSA-N
Molecular Weight 260.286 g/mol
SMILES O[C@@]1([C@@](C[C@]([C@](C1)(C(=O)OCC)[H])(O)[H])(C(=O)OCC)[H])[H]
SPLASH splash10-0ht9-1920000000-8e7d5c26b7539b96f353
Source of Spectrum H-62-158-0
Wiley ID 1263385