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(2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
SpectraBase Compound ID ILRYHzMu9ft
InChI InChI=1S/C27H46N2O4/c1-4-7-9-16-24(28-19-12-18-26(31-5-2)32-6-3)21-25-17-13-20-29(25)27(30)33-22-23-14-10-8-11-15-23/h8,10-11,14-15,24-26,28H,4-7,9,12-13,16-22H2,1-3H3/t24-,25-/m1/s1
InChIKey JANMFJFGTQYUQR-JWQCQUIFSA-N
Mol Weight 462.7 g/mol
Molecular Formula C27H46N2O4
Exact Mass 462.345758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sZ7dGqPOC
Name (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46N2O4
InChI InChI=1S/C27H46N2O4/c1-4-7-9-16-24(28-19-12-18-26(31-5-2)32-6-3)21-25-17-13-20-29(25)27(30)33-22-23-14-10-8-11-15-23/h8,10-11,14-15,24-26,28H,4-7,9,12-13,16-22H2,1-3H3/t24-,25-/m1/s1
InChIKey JANMFJFGTQYUQR-JWQCQUIFSA-N
Molecular Weight 462.675 g/mol
SMILES N([C@@](C[C@@]1(N(C(OCc2ccccc2)=O)CCC1)[H])(CCCCC)[H])CCCC(OCC)OCC
SPLASH splash10-01ow-4982300000-4ff0246bab9c6a36ec62
Source of Spectrum F-51-10921-19
Synonyms (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylic acid benzyl ester (phenylmethyl) (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylate benzyl (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylate
Wiley ID 793638