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(2S)-1-[(2R)-3-keto-3-methoxy-2-methyl-2-(4-methyl-2-nitro-phenoxy)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester
SpectraBase Compound ID 3xqJjrBis6R
InChI InChI=1S/C24H26N2O8/c1-16-11-12-20(19(14-16)26(30)31)34-24(2,23(29)32-3)22(28)25-13-7-10-18(25)21(27)33-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,18H,7,10,13,15H2,1-3H3/t18-,24+/m0/s1
InChIKey XSSPJLMOSRVVJM-MHECFPHRSA-N
Mol Weight 470.48 g/mol
Molecular Formula C24H26N2O8
Exact Mass 470.168916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p7AEwINsy9
Name (2S)-1-[(2R)-3-keto-3-methoxy-2-methyl-2-(4-methyl-2-nitro-phenoxy)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C24H26N2O8
InChI InChI=1S/C24H26N2O8/c1-16-11-12-20(19(14-16)26(30)31)34-24(2,23(29)32-3)22(28)25-13-7-10-18(25)21(27)33-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,18H,7,10,13,15H2,1-3H3/t18-,24+/m0/s1
InChIKey XSSPJLMOSRVVJM-MHECFPHRSA-N
Molecular Weight 470.478 g/mol
SMILES [C@]1(N(CCC1)C([C@](C(=O)OC)(Oc1c(cc(cc1)C)N(=O)=O)C)=O)(C(=O)OCc1ccccc1)[H]
SPLASH splash10-000i-0009000000-684d4cbc8dbf38c47564
Source of Spectrum J-66-7049-6
Synonyms (2S)-1-[(2R)-3-methoxy-2-methyl-2-(4-methyl-2-nitrophenoxy)-1,3-dioxopropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (2S)-1-[(2R)-3-methoxy-2-methyl-2-(4-methyl-2-nitro-phenoxy)-3-oxidanylidene-propanoyl]pyrrolidine-2-carboxylate benzyl (2S)-1-[(2R)-3-methoxy-2-methyl-2-(4-methyl-2-nitro-phenoxy)-3-oxo-propanoyl]pyrrolidine-2-carboxylate
Wiley ID 1536013