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Dimethyl 1,3-dimethylcyclohexane-cis-1,3-dicarboxylate
SpectraBase Compound ID I5pnEdcjbdT
InChI InChI=1S/C12H20O4/c1-11(9(13)15-3)6-5-7-12(2,8-11)10(14)16-4/h5-8H2,1-4H3/t11-,12+
InChIKey GCPMLRIQKFPPNS-TXEJJXNPSA-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 DNYTf4Zqhva
Name Dimethyl 1,3-dimethylcyclohexane-cis-1,3-dicarboxylate
Alternate Name(s) Dimethyl (1R,3S)-1,3-dimethyl-1,3-cyclohexanedicarboxylate
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Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-11(9(13)15-3)6-5-7-12(2,8-11)10(14)16-4/h5-8H2,1-4H3/t11-,12+
InChIKey GCPMLRIQKFPPNS-TXEJJXNPSA-N
Molecular Weight 228.288 g/mol
SMILES [C@@]1(C(=O)OC)(C[C@](C(=O)OC)(C)CCC1)C
SPLASH splash10-0aor-3900000000-969b2f81d26957d6f3a6
Source of Spectrum O-29-342-0
Wiley ID 1229578