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1-(2-(1-benzoyl-4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID KUxGbHggusC
InChI InChI=1S/C26H29N3O2S/c1-18-12-14-20(15-13-18)22-17-29(26(31)21-9-5-4-6-10-21)24(27-22)23-11-7-8-16-28(23)25(30)19(2)32-3/h4-6,9-10,12-15,17,19,23H,7-8,11,16H2,1-3H3
InChIKey JFMRFPMNLJJLFX-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C26H29N3O2S
Exact Mass 447.198048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L20tY2FbdVl
Name 1-(2-(1-benzoyl-4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance Yellow oily wax
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.198048358 u
Formula C26H29N3O2S
InChI InChI=1S/C26H29N3O2S/c1-18-12-14-20(15-13-18)22-17-29(26(31)21-9-5-4-6-10-21)24(27-22)23-11-7-8-16-28(23)25(30)19(2)32-3/h4-6,9-10,12-15,17,19,23H,7-8,11,16H2,1-3H3
InChIKey JFMRFPMNLJJLFX-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 447.597 g/mol
Quality 137
SMILES C1(=CC=CC=C1)C(=O)N1C(=NC(=C1)C1=CC=C(C=C1)C)C1N(CCCC1)C(C(C)SC)=O
SPLASH splash10-0a4i-2930000000-ed780277e01ca7db4604
Source of Spectrum WO2022171653A1
Wiley ID 1892738