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(2R)-2-[(3S)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester
SpectraBase Compound ID 64zTbktnxiJ
InChI InChI=1S/C24H32N2O3/c1-24(2,3)29-23(28)26-17-8-7-13-21(26)20-12-9-16-25(18-20)22(27)15-14-19-10-5-4-6-11-19/h4-6,10-11,20-21H,7-9,12-13,16-18H2,1-3H3/t20-,21+/m0/s1
InChIKey RTTSISNZZNQVCY-LEWJYISDSA-N
Mol Weight 396.5 g/mol
Molecular Formula C24H32N2O3
Exact Mass 396.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlORdspAtlQ
Name (2R)-2-[(3S)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O3
InChI InChI=1S/C24H32N2O3/c1-24(2,3)29-23(28)26-17-8-7-13-21(26)20-12-9-16-25(18-20)22(27)15-14-19-10-5-4-6-11-19/h4-6,10-11,20-21H,7-9,12-13,16-18H2,1-3H3/t20-,21+/m0/s1
InChIKey RTTSISNZZNQVCY-LEWJYISDSA-N
Molecular Weight 396.531 g/mol
SMILES C(N1[C@@]([C@@]2(CN(C(C#Cc3ccccc3)=O)CCC2)[H])(CCCC1)[H])(OC(C)(C)C)=O
SPLASH splash10-03gi-8490000000-2e8e3cd5b3b1e4aa4ec1
Source of Spectrum F-68-2919-3
Synonyms (2R)-2-[(3S)-1-(3-phenylpropioloyl)-3-piperidyl]piperidine-1-carboxylic acid tert-butyl ester tert-Butyl (2R)-2-[(3S)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]piperidine-1-carboxylate tert-Butyl (2R)-2-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]piperidine-1-carboxylate
Wiley ID 1572187