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Cyclohexanebutanoic acid, 2-methyl-3-oxo-, trans-(.+-.)-
SpectraBase Compound ID HvIjEjDTJmO
InChI InChI=1S/C11H18O3/c1-8-9(4-2-6-10(8)12)5-3-7-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9-/m0/s1
InChIKey IMUVKJHXLTYKAQ-IUCAKERBSA-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 3Us2r6P7xRV
Name Cyclohexanebutanoic acid, 2-methyl-3-oxo-, trans-(.+-.)-
Alternate Name(s) 4-(t-2-methyl- and 4-(c-2-methyl-3-oxo-r-1-cyclohexyl)butanoic acid 4-[(1S,2S)-2-methyl-3-oxocyclohexyl]butanoic acid
CAS Registry Number 83406-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8-9(4-2-6-10(8)12)5-3-7-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9-/m0/s1
InChIKey IMUVKJHXLTYKAQ-IUCAKERBSA-N
Molecular Weight 198.262 g/mol
SMILES OC(CCC[C@]1([C@@](C(=O)CCC1)(C)[H])[H])=O
SPLASH splash10-03di-9800000000-19b2f54993fb904babb7
Source of Spectrum H-65-647-0
Wiley ID 1195487