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(2S)-N-(4-Benzyloxy-5-methoxy-2-nitrobenzoyl)-pyrrolidine-2-carboxylic acid
SpectraBase Compound ID 5MI8JTpIlIX
InChI InChI=1S/C20H20N2O7/c1-28-17-10-14(19(23)21-9-5-8-15(21)20(24)25)16(22(26)27)11-18(17)29-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,24,25)/t15-/m0/s1
InChIKey LAYKEZZQCFVAQQ-HNNXBMFYSA-N
Mol Weight 400.39 g/mol
Molecular Formula C20H20N2O7
Exact Mass 400.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tRFeQ5mxeu
Name (2S)-N-(4-Benzyloxy-5-methoxy-2-nitrobenzoyl)-pyrrolidine-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C20H20N2O7
InChI InChI=1S/C20H20N2O7/c1-28-17-10-14(19(23)21-9-5-8-15(21)20(24)25)16(22(26)27)11-18(17)29-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,24,25)/t15-/m0/s1
InChIKey LAYKEZZQCFVAQQ-HNNXBMFYSA-N
Molecular Weight 400.387 g/mol
SMILES OC([C@]1(N(C(c2c(N(=O)=O)cc(c(c2)OC)OCc2ccccc2)=O)CCC1)[H])=O
SPLASH splash10-0006-9000000000-d8edf93db98bd878be46
Source of Spectrum F-48-755-5
Synonyms (2S)-1-[4-(benzyloxy)-5-methoxy-2-nitrobenzoyl]-2-pyrrolidinecarboxylic acid (2S)-1-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid (2S)-1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid (2S)-1-(4-benzyloxy-5-methoxy-2-nitro-benzoyl)pyrrolidine-2-carboxylic acid (2S)-1-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)carbonylpyrrolidine-2-carboxylic acid
Wiley ID 1369301