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1,2-Cyclohexanedicarboxylic acid, 3,3-dimethyl-, dimethyl ester, cis-(.+-.)-
SpectraBase Compound ID ICq8Kv4FRwC
InChI InChI=1S/C12H20O4/c1-12(2)7-5-6-8(10(13)15-3)9(12)11(14)16-4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKey SIAFAYKDAMALIG-BDAKNGLRSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DY0znqpH5K
Name 1,2-Cyclohexanedicarboxylic acid, 3,3-dimethyl-, dimethyl ester, cis-(.+-.)-
Alternate Name(s) Dimethyl (1R,2R)-3,3-dimethyl-1,2-cyclohexanedicarboxylate Dimethyl (cis)-3,3-dimethylcyclohexane-1,2-dicarboxylate
CAS Registry Number 122203-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-12(2)7-5-6-8(10(13)15-3)9(12)11(14)16-4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKey SIAFAYKDAMALIG-BDAKNGLRSA-N
Molecular Weight 228.288 g/mol
SMILES [C@@]1([C@](C(=O)OC)(CCCC1(C)C)[H])(C(=O)OC)[H]
SPLASH splash10-0api-2900000000-029fd14b83de9d9d710f
Source of Spectrum H-71-1593-0
Wiley ID 1229535