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(2S)-1-(4-benzylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid benzyl ester
SpectraBase Compound ID BE28SJvrMBQ
InChI InChI=1S/C24H29N3O3/c28-23(30-19-21-10-5-2-6-11-21)22-12-7-13-27(22)24(29)26-16-14-25(15-17-26)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2/t22-/m0/s1
InChIKey NQKPAFCHCTZBDH-QFIPXVFZSA-N
Mol Weight 407.51 g/mol
Molecular Formula C24H29N3O3
Exact Mass 407.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1POZI0bbz8N
Name (2S)-1-(4-benzylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid benzyl ester
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Formula C24H29N3O3
InChI InChI=1S/C24H29N3O3/c28-23(30-19-21-10-5-2-6-11-21)22-12-7-13-27(22)24(29)26-16-14-25(15-17-26)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2/t22-/m0/s1
InChIKey NQKPAFCHCTZBDH-QFIPXVFZSA-N
Molecular Weight 407.514 g/mol
SMILES C([C@]1(N(CCC1)C(=O)N1CCN(CC1)Cc1ccccc1)[H])(=O)OCc1ccccc1
SPLASH splash10-0536-5910100000-c8616767bca40551b7a3
Source of Spectrum KC-61-7165-5
Synonyms (2S)-1-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (2S)-1-[4-(phenylmethyl)piperazin-1-yl]carbonylpyrrolidine-2-carboxylate benzyl (2S)-1-(4-benzylpiperazine-1-carbonyl)pyrrolidine-2-carboxylate
Wiley ID 1629826