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(E)-2-methyl-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)pent-3-en-1-one
SpectraBase Compound ID IB1NX0w3XOX
InChI InChI=1S/C21H27N3O/c1-4-7-16(3)21(25)24-13-6-5-8-19(24)20-22-14-18(23-20)17-11-9-15(2)10-12-17/h4,7,9-12,14,16,19H,5-6,8,13H2,1-3H3,(H,22,23)/b7-4+
InChIKey NIKZKPIUSLIXCM-QPJJXVBHSA-N
Mol Weight 337.47 g/mol
Molecular Formula C21H27N3O
Exact Mass 337.215413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6h3oh4fv6Ln
Name (E)-2-methyl-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)pent-3-en-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O
InChI InChI=1S/C21H27N3O/c1-4-7-16(3)21(25)24-13-6-5-8-19(24)20-22-14-18(23-20)17-11-9-15(2)10-12-17/h4,7,9-12,14,16,19H,5-6,8,13H2,1-3H3,(H,22,23)/b7-4+
InChIKey NIKZKPIUSLIXCM-QPJJXVBHSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 337.467 g/mol
SMILES [nH]1c(cnc1C1N(C(C(C)\C=C\C)=O)CCCC1)-c1ccc(cc1)C
SPLASH splash10-000f-3980000000-6de64b7dc09918ef144b
Sample Comments Isomer 1
Source of Spectrum WO2021074281A1
Wiley ID 1880087