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(2R,5R)-2-butyl-5-(4-ketoheptyl)pyrrolidine-1-carboxylic acid benzyl ester
SpectraBase Compound ID 8v3zoPe6ooN
InChI InChI=1S/C23H35NO3/c1-3-5-13-20-16-17-21(14-9-15-22(25)10-4-2)24(20)23(26)27-18-19-11-7-6-8-12-19/h6-8,11-12,20-21H,3-5,9-10,13-18H2,1-2H3/t20-,21-/m1/s1
InChIKey DVELONFSYOTHFB-NHCUHLMSSA-N
Mol Weight 373.5 g/mol
Molecular Formula C23H35NO3
Exact Mass 373.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R0xvMWEul8
Name (2R,5R)-2-butyl-5-(4-ketoheptyl)pyrrolidine-1-carboxylic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35NO3
InChI InChI=1S/C23H35NO3/c1-3-5-13-20-16-17-21(14-9-15-22(25)10-4-2)24(20)23(26)27-18-19-11-7-6-8-12-19/h6-8,11-12,20-21H,3-5,9-10,13-18H2,1-2H3/t20-,21-/m1/s1
InChIKey DVELONFSYOTHFB-NHCUHLMSSA-N
Molecular Weight 373.537 g/mol
SMILES C(N1[C@@](CC[C@]1(CCCC)[H])(CCCC(=O)CCC)[H])(OCc1ccccc1)=O
SPLASH splash10-00ri-0090000000-c69c2410f98cced53255
Source of Spectrum J-57-5187-40
Synonyms (2R,5R)-2-butyl-5-(4-oxoheptyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (2R,5R)-2-butyl-5-(4-oxidanylideneheptyl)pyrrolidine-1-carboxylate benzyl (2R,5R)-2-butyl-5-(4-oxoheptyl)pyrrolidine-1-carboxylate
Wiley ID 1356207