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Methyl 2-(4-chlorophenyl)-4-[4-(ethylamino)butyl]imidazole-5-carboxylate hydroiodide
SpectraBase Compound ID GykNL8C57vJ
InChI InChI=1S/C17H22ClN3O2.I/c1-3-19-11-5-4-6-14-15(17(22)23-2)21-16(20-14)12-7-9-13(18)10-8-12;/h7-10,19H,3-6,11H2,1-2H3,(H,20,21);
InChIKey KOGCOAOXINMSEK-UHFFFAOYSA-N
Mol Weight 462.74 g/mol
Molecular Formula C17H22ClIN3O2
Exact Mass 462.044525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQEp2MBCxkx
Name Methyl 2-(4-chlorophenyl)-4-[4-(ethylamino)butyl]imidazole-5-carboxylate hydroiodide
Alternate Name(s) Methyl 2-(4-chlorophenyl)-4-[4-(ethylamino)butyl]-1H-imidazole-5-carboxylate hydroiodide
CAS Registry Number 134471-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23ClIN3O2
InChI InChI=1S/C17H22ClN3O2.I/c1-3-19-11-5-4-6-14-15(17(22)23-2)21-16(20-14)12-7-9-13(18)10-8-12;/h7-10,19H,3-6,11H2,1-2H3,(H,20,21);
InChIKey KOGCOAOXINMSEK-UHFFFAOYSA-N
Molecular Weight 463.747 g/mol
SMILES I.[nH]1c(nc(CCCCNCC)c1C(=O)OC)-c1ccc(cc1)Cl
SPLASH splash10-1009-5291000000-e98fdfb4b982983d97d3
Source of Spectrum J-57-1833-5
Wiley ID 1391261