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2-[(1S,2R)-2-benzoyl-6-keto-cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID 16AJipKV0Sb
InChI InChI=1S/C16H18O4/c1-20-15(18)10-13-12(8-5-9-14(13)17)16(19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1
InChIKey LZAWHEKFKOROPD-OLZOCXBDSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYSI8ewTKvw
Name 2-[(1S,2R)-2-benzoyl-6-keto-cyclohexyl]acetic acid methyl ester
Alternate Name(s) 2-[(1S,2R)-2-benzoyl-6-oxocyclohexyl]acetic acid methyl ester Methyl 2-[(1S,2R)-2-benzoyl-6-oxo-cyclohexyl]acetate Methyl 2-[(1S,6R)-2-oxidanylidene-6-(phenylcarbonyl)cyclohexyl]ethanoate
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Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-20-15(18)10-13-12(8-5-9-14(13)17)16(19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1
InChIKey LZAWHEKFKOROPD-OLZOCXBDSA-N
Molecular Weight 274.316 g/mol
SMILES [C@]1([C@](C(=O)c2ccccc2)(CCCC1=O)[H])(CC(=O)OC)[H]
SPLASH splash10-0a4i-1920000000-59091cce339d63886b10
Source of Spectrum SO-0-663-5
Wiley ID 873042