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2-[(1R)-1,3,3-trimethyl-2-methylene-6-oxocyclohexyl]acetic acid methyl ester
SpectraBase Compound ID Fo1IgjLXOn0
InChI InChI=1S/C13H20O3/c1-9-12(2,3)7-6-10(14)13(9,4)8-11(15)16-5/h1,6-8H2,2-5H3/t13-/m1/s1
InChIKey MHDQDSRCJNJQJS-CYBMUJFWSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Bh3VMCWt0i
Name 2-[(1R)-1,3,3-trimethyl-2-methylene-6-oxocyclohexyl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-12(2,3)7-6-10(14)13(9,4)8-11(15)16-5/h1,6-8H2,2-5H3/t13-/m1/s1
InChIKey MHDQDSRCJNJQJS-CYBMUJFWSA-N
Molecular Weight 224.300 g/mol
SMILES [C@@]1(C(C(C)(C)CCC1=O)=C)(CC(=O)OC)C
SPLASH splash10-0600-1920000000-b1ba484ceeaf22d1d864
Source of Spectrum J-66-7105-19
Synonyms 2-[(1R)-6-keto-1,3,3-trimethyl-2-methylene-cyclohexyl]acetic acid methyl ester Methyl 2-[(1R)-1,3,3-trimethyl-2-methylene-6-oxo-cyclohexyl]acetate Methyl 2-[(1R)-1,3,3-trimethyl-2-methylidene-6-oxidanylidene-cyclohexyl]ethanoate Methyl 2-[(1R)-1,3,3-trimethyl-2-methylidene-6-oxocyclohexyl]acetate
Wiley ID 1536006