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3-(5-tert-butyl-2-keto-cyclohexyl)propionic acid
SpectraBase Compound ID EmRiYE98pk1
InChI InChI=1S/C13H22O3/c1-13(2,3)10-5-6-11(14)9(8-10)4-7-12(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKey WLIKTMBNIHXJLT-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqTh0OM1P8h
Name 3-(5-tert-butyl-2-keto-cyclohexyl)propionic acid
Alternate Name(s) 3-(5-tert-butyl-2-oxidanylidene-cyclohexyl)propanoic acid 3-(5-tert-butyl-2-oxo-cyclohexyl)propanoic acid
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-13(2,3)10-5-6-11(14)9(8-10)4-7-12(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKey WLIKTMBNIHXJLT-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES OC(CCC1C(CCC(C(C)(C)C)C1)=O)=O
SPLASH splash10-0aba-9620000000-2630b906032035cda7bb
Source of Spectrum QC-11-2609-3
Wiley ID 859945