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2-(2,2-dimethyl-3-oxocyclohexyl)acetic acid methyl ester
SpectraBase Compound ID CUEf2MIde5L
InChI InChI=1S/C11H18O3/c1-11(2)8(7-10(13)14-3)5-4-6-9(11)12/h8H,4-7H2,1-3H3
InChIKey XWGYQBHYSYMTDU-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sykP3VUm5z
Name 2-(2,2-dimethyl-3-oxocyclohexyl)acetic acid methyl ester
Alternate Name(s) 2-(3-keto-2,2-dimethyl-cyclohexyl)acetic acid methyl ester Methyl 2-(2,2-dimethyl-3-oxidanylidene-cyclohexyl)ethanoate Methyl 2-(2,2-dimethyl-3-oxo-cyclohexyl)acetate
CAS Registry Number 132216-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-11(2)8(7-10(13)14-3)5-4-6-9(11)12/h8H,4-7H2,1-3H3
InChIKey XWGYQBHYSYMTDU-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(C(CC(=O)OC)CCCC1=O)(C)C
SPLASH splash10-05ox-9400000000-547713333a0d016da6b7
Source of Spectrum AH-121-850-2
Wiley ID 1195507