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1-(2-(1-(2-methylbutanoyl)piperidin-2-yl)-4-(p-tolyl)-1H-imidazol-1-yl)dodecan-1-one
SpectraBase Compound ID B36F2iYeZzV
InChI InChI=1S/C32H49N3O2/c1-5-7-8-9-10-11-12-13-14-18-30(36)35-24-28(27-21-19-25(3)20-22-27)33-31(35)29-17-15-16-23-34(29)32(37)26(4)6-2/h19-22,24,26,29H,5-18,23H2,1-4H3
InChIKey XJUUEVFNZVABBK-UHFFFAOYSA-N
Mol Weight 507.8 g/mol
Molecular Formula C32H49N3O2
Exact Mass 507.382478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L35cLLk85eo
Name 1-(2-(1-(2-methylbutanoyl)piperidin-2-yl)-4-(p-tolyl)-1H-imidazol-1-yl)dodecan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.382477828 u
Formula C32H49N3O2
InChI InChI=1S/C32H49N3O2/c1-5-7-8-9-10-11-12-13-14-18-30(36)35-24-28(27-21-19-25(3)20-22-27)33-31(35)29-17-15-16-23-34(29)32(37)26(4)6-2/h19-22,24,26,29H,5-18,23H2,1-4H3
InChIKey XJUUEVFNZVABBK-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 507.763 g/mol
Quality 69
SMILES CC(C(=O)N1C(CCCC1)C=1N(C=C(N1)C1=CC=C(C=C1)C)C(CCCCCCCCCCC)=O)CC
SPLASH splash10-0006-1290000000-0ab555e25da12102f0f6
Source of Spectrum WO2022171653A1
Wiley ID 1892730