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Methyl (.alpha.S,1R)-.alpha.,1-Dimethyl-2-oxocyclohexanepropanoate
SpectraBase Compound ID C95ZF8ZAM8F
InChI InChI=1S/C12H20O3/c1-9(11(14)15-3)8-12(2)7-5-4-6-10(12)13/h9H,4-8H2,1-3H3/t9-,12+/m0/s1
InChIKey XJRZYFMRAWIWKL-JOYOIKCWSA-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 1OiJIEWfYAc
Name Methyl (.alpha.S,1R)-.alpha.,1-Dimethyl-2-oxocyclohexanepropanoate
Alternate Name(s) Methyl (2S)-2-methyl-3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(11(14)15-3)8-12(2)7-5-4-6-10(12)13/h9H,4-8H2,1-3H3/t9-,12+/m0/s1
InChIKey XJRZYFMRAWIWKL-JOYOIKCWSA-N
Molecular Weight 212.289 g/mol
SMILES [C@]1(C[C@@](C(=O)OC)(C)[H])(C(=O)CCCC1)C
SPLASH splash10-08fr-9700000000-c446046cf79aed70a55a
Source of Spectrum QC-6-1811-17
Wiley ID 868938