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(.alpha.S,1R)-.alpha.,1-Dimethyl-2-oxocyclohexanepropanoic acid
SpectraBase Compound ID K2mxuy8xcsA
InChI InChI=1S/C11H18O3/c1-8(10(13)14)7-11(2)6-4-3-5-9(11)12/h8H,3-7H2,1-2H3,(H,13,14)/t8-,11+/m0/s1
InChIKey UYGFOJODUUWPQJ-GZMMTYOYSA-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 6X2oPZuZVfU
Name (.alpha.S,1R)-.alpha.,1-Dimethyl-2-oxocyclohexanepropanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8(10(13)14)7-11(2)6-4-3-5-9(11)12/h8H,3-7H2,1-2H3,(H,13,14)/t8-,11+/m0/s1
InChIKey UYGFOJODUUWPQJ-GZMMTYOYSA-N
Molecular Weight 198.262 g/mol
SMILES OC([C@](C[C@@]1(C(=O)CCCC1)C)(C)[H])=O
SPLASH splash10-08fr-7900000000-3219fdeeea3b7e4cc3ab
Source of Spectrum QC-6-1811-18
Synonyms (2S)-2-methyl-3-[(1R)-1-methyl-2-oxocyclohexyl]propanoic acid
Wiley ID 868939