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Cyclohexanepropanoic acid, 2-formyl-1-methyl-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID A2dwjQupbiP
InChI InChI=1S/C12H20O3/c1-12(8-6-11(14)15-2)7-4-3-5-10(12)9-13/h9-10H,3-8H2,1-2H3/t10-,12-/m0/s1
InChIKey RLGSZERLLWMVQN-JQWIXIFHSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65v58avZXXr
Name Cyclohexanepropanoic acid, 2-formyl-1-methyl-, methyl ester, trans-(.+-.)-
Alternate Name(s) Methyl 3-[(1S,2R)-2-formyl-1-methylcyclohexyl]propanoate Methyl trans-3-(2'-formil-1'-methylcyclohexyl)propionate
CAS Registry Number 109263-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-12(8-6-11(14)15-2)7-4-3-5-10(12)9-13/h9-10H,3-8H2,1-2H3/t10-,12-/m0/s1
InChIKey RLGSZERLLWMVQN-JQWIXIFHSA-N
Molecular Weight 212.289 g/mol
SMILES [C@@]1(CCC(=O)OC)([C@](C=O)(CCCC1)[H])C
SPLASH splash10-000b-9100000000-1a740f0a347b163064c6
Source of Spectrum KC-1986-1306-8
Wiley ID 1211547