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(2R,5R)-2-butyl-5-(4-ketobutyl)pyrrolidine-1-carboxylic acid benzyl ester
SpectraBase Compound ID AZ0DpIAxNFO
InChI InChI=1S/C20H29NO3/c1-2-3-11-18-13-14-19(12-7-8-15-22)21(18)20(23)24-16-17-9-5-4-6-10-17/h4-6,9-10,15,18-19H,2-3,7-8,11-14,16H2,1H3/t18-,19-/m1/s1
InChIKey IWOAXVDOUSEMGH-RTBURBONSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oaqpisAkCL
Name (2R,5R)-2-butyl-5-(4-ketobutyl)pyrrolidine-1-carboxylic acid benzyl ester
Alternate Name(s) (2R,5R)-2-butyl-5-(4-oxobutyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (2R,5R)-2-butyl-5-(4-oxidanylidenebutyl)pyrrolidine-1-carboxylate benzyl (2R,5R)-2-butyl-5-(4-oxobutyl)pyrrolidine-1-carboxylate
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Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-2-3-11-18-13-14-19(12-7-8-15-22)21(18)20(23)24-16-17-9-5-4-6-10-17/h4-6,9-10,15,18-19H,2-3,7-8,11-14,16H2,1H3/t18-,19-/m1/s1
InChIKey IWOAXVDOUSEMGH-RTBURBONSA-N
Molecular Weight 331.456 g/mol
SMILES C(N1[C@@](CC[C@]1(CCCC)[H])(CCCC=O)[H])(OCc1ccccc1)=O
SPLASH splash10-0006-9060000000-d9845c7b26b7c183f1e2
Source of Spectrum J-57-5186-34
Wiley ID 1328826