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1-(2-(1-(2-methylbutanoyl)piperidin-2-yl)-4-(p-tolyl)-1H-imidazol-1-yl)hexan-1-one
SpectraBase Compound ID 74DvHjWlp7L
InChI InChI=1S/C26H37N3O2/c1-5-7-8-12-24(30)29-18-22(21-15-13-19(3)14-16-21)27-25(29)23-11-9-10-17-28(23)26(31)20(4)6-2/h13-16,18,20,23H,5-12,17H2,1-4H3
InChIKey XBOGZDTUWOECEM-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C26H37N3O2
Exact Mass 423.288577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GY7l5mLG6YX
Name 1-(2-(1-(2-methylbutanoyl)piperidin-2-yl)-4-(p-tolyl)-1H-imidazol-1-yl)hexan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.288577441 u
Formula C26H37N3O2
InChI InChI=1S/C26H37N3O2/c1-5-7-8-12-24(30)29-18-22(21-15-13-19(3)14-16-21)27-25(29)23-11-9-10-17-28(23)26(31)20(4)6-2/h13-16,18,20,23H,5-12,17H2,1-4H3
InChIKey XBOGZDTUWOECEM-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 423.601 g/mol
Quality 94
SMILES CC(C(=O)N1C(CCCC1)C=1N(C=C(N1)C1=CC=C(C=C1)C)C(CCCCC)=O)CC
SPLASH splash10-000f-1490000000-714dd2f17f614a90bec3
Source of Spectrum WO2022171653A1
Wiley ID 1892732