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1'-[4-(p-fluorophenyll)but-3-enyl]-4'-(?-acetoxypiperidinyl)-4'-aminocarbonylpiperidine
SpectraBase Compound ID KsdI00MAtx9
InChI InChI=1S/C23H32FN3O3/c1-18(28)30-21-9-14-27(15-10-21)23(22(25)29)11-16-26(17-12-23)13-3-2-4-19-5-7-20(24)8-6-19/h2,4-8,21H,3,9-17H2,1H3,(H2,25,29)/b4-2+
InChIKey BYYKJUGKRLPBRE-DUXPYHPUSA-N
Mol Weight 417.5 g/mol
Molecular Formula C23H32FN3O3
Exact Mass 417.24277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFb3AR5L7xQ
Name 1'-[4-(p-fluorophenyll)but-3-enyl]-4'-(?-acetoxypiperidinyl)-4'-aminocarbonylpiperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32FN3O3
InChI InChI=1S/C23H32FN3O3/c1-18(28)30-21-9-14-27(15-10-21)23(22(25)29)11-16-26(17-12-23)13-3-2-4-19-5-7-20(24)8-6-19/h2,4-8,21H,3,9-17H2,1H3,(H2,25,29)/b4-2+
InChIKey BYYKJUGKRLPBRE-DUXPYHPUSA-N
Molecular Weight 417.525 g/mol
SMILES NC(C1(N2CCC(OC(=O)C)CC2)CCN(CC1)CC\C=C\c1ccc(cc1)F)=O
SPLASH splash10-00ds-8951000000-4b8084d04828d37d2791
Source of Spectrum JC-491-436-0
Synonyms 1-{4-carbamoyl-1-[(3E)-4-(4-fluorophenyl)but-3-en-1-yl]piperidin-4-yl}piperidin-4-yl acetate
Wiley ID 1376846