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Methyl 5-methyl-2-oxo-3-[2-(4-acetaminophenyl)ethyl]cyclopentanecarboxylate
SpectraBase Compound ID 3XTkdOGV8JS
InChI InChI=1S/C18H23NO4/c1-11-10-14(17(21)16(11)18(22)23-3)7-4-13-5-8-15(9-6-13)19-12(2)20/h5-6,8-9,11,14,16H,4,7,10H2,1-3H3,(H,19,20)/t11-,14?,16+/m0/s1
InChIKey HOBRPUHITLUFLB-ZIHDAQAOSA-N
Mol Weight 317.38 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtkeV7jAm8z
Name Methyl 5-methyl-2-oxo-3-[2-(4-acetaminophenyl)ethyl]cyclopentanecarboxylate
Alternate Name(s) (1R,5S)-3-[2-(4-Acetylamino-phenyl)-ethyl]-5-methyl-2-oxo-cyclopentanecarboxylic acid methyl ester Methyl 3-{2-[4-(acetylamino)phenyl]ethyl}-5-methyl-2-oxocyclopentanecarboxylate (1R,5S)-3-[2-(4-acetamidophenyl)ethyl]-5-methyl-2-oxo-1-cyclopentanecarboxylic acid methyl ester Methyl (1R,5S)-3-[2-(4-acetamidophenyl)ethyl]-5-methyl-2-oxocyclopentane-1-carboxylate Methyl (1R,5S)-3-[2-(4-acetamidophenyl)ethyl]-5-methyl-2-oxo-cyclopentanecarboxylate Methyl (1R,5S)-3-[2-(4-acetamidophenyl)ethyl]-5-methyl-2-oxidanylidene-cyclopentane-1-carboxylate
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Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-11-10-14(17(21)16(11)18(22)23-3)7-4-13-5-8-15(9-6-13)19-12(2)20/h5-6,8-9,11,14,16H,4,7,10H2,1-3H3,(H,19,20)/t11-,14?,16+/m0/s1
InChIKey HOBRPUHITLUFLB-ZIHDAQAOSA-N
Molecular Weight 317.385 g/mol
SMILES N(C(=O)C)c1ccc(CCC2C([C@@]([C@](C2)(C)[H])(C(=O)OC)[H])=O)cc1
SPLASH splash10-0300-0900000000-588573a072537d27e251
Source of Spectrum J-63-1860-3
Wiley ID 1317740