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Methyl 2-cyclohexyl-2-oxoacetate
SpectraBase Compound ID 8uh9kDEaJ9T
InChI InChI=1S/C9H14O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey GLBPQIPSSQUXNZ-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoDviAy3a6g
Name Methyl 2-cyclohexyl-2-oxoacetate
Appearance Oil
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Exact Mass 170.094294308 u
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey GLBPQIPSSQUXNZ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.506
Molecular Weight 170.208 g/mol
Quality 278
SMILES COC(C(=O)C1CCCCC1)=O
SPLASH splash10-0a5i-9100000000-b4ea57c8c13ca2c67238
Source of Spectrum ARK-2002-45-3ag (DOI: 10.3998/ark.5550190.0003.506)
Thin-Layer Chromatography 0.33 (hexane/ethyl acetate, 9:1)
Wiley ID 1904687