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1-(2-Nitro-1-phenylethyl)-2-oxocyclopentanecarboxylic acid, methyl ester
SpectraBase Compound ID 75eZTQUTh55
InChI InChI=1S/C15H17NO5/c1-21-14(18)15(9-5-8-13(15)17)12(10-16(19)20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKey PXQWCBKEMHAYSE-UHFFFAOYSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ANKHOlbfZV
Name 1-(2-Nitro-1-phenylethyl)-2-oxocyclopentanecarboxylic acid, methyl ester
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Formula C15H17NO5
InChI InChI=1S/C15H17NO5/c1-21-14(18)15(9-5-8-13(15)17)12(10-16(19)20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKey PXQWCBKEMHAYSE-UHFFFAOYSA-N
Molecular Weight 291.303 g/mol
SMILES c1ccc(C(C2(C(CCC2)=O)C(=O)OC)CN(=O)=O)cc1
SPLASH splash10-004l-4900000000-f5bf0947d556b6f66243
Synonyms 1-(2-nitro-1-phenylethyl)-2-oxo-1-cyclopentanecarboxylic acid methyl ester 2-keto-1-(2-nitro-1-phenyl-ethyl)cyclopentanecarboxylic acid methyl ester Methyl 1-(2-nitro-1-phenyl-ethyl)-2-oxidanylidene-cyclopentane-1-carboxylate Methyl 1-(2-nitro-1-phenyl-ethyl)-2-oxo-cyclopentanecarboxylate Methyl 1-(2-nitro-1-phenylethyl)-2-oxocyclopentane-1-carboxylate
Wiley ID 1476254