For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[5-(p-Chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole, oxalate(1:1)
SpectraBase Compound ID JyOdnUXOG2Q
InChI InChI=1S/C20H19Cl3N2O.C2H2O4/c21-16-3-6-18(7-4-16)26-11-1-2-15(13-25-10-9-24-14-25)19-8-5-17(22)12-20(19)23;3-1(4)2(5)6/h3-10,12,14-15H,1-2,11,13H2;(H,3,4)(H,5,6)
InChIKey VUVSJXDBMXCFEQ-UHFFFAOYSA-N
Mol Weight 499.78 g/mol
Molecular Formula C22H21Cl3N2O5
Exact Mass 498.051605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AH2xf1omoQy
Name 1-[5-(p-Chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole, oxalate(1:1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.051604879 u
Formula C22H21Cl3N2O5
InChI InChI=1S/C20H19Cl3N2O.C2H2O4/c21-16-3-6-18(7-4-16)26-11-1-2-15(13-25-10-9-24-14-25)19-8-5-17(22)12-20(19)23;3-1(4)2(5)6/h3-10,12,14-15H,1-2,11,13H2;(H,3,4)(H,5,6)
InChIKey VUVSJXDBMXCFEQ-UHFFFAOYSA-N
Molecular Weight 499.778 g/mol
SMILES C=1C(=C(C=C(C1)Cl)Cl)C(CCCOC=1C=CC(=CC1)Cl)CN1C=CN=C1.OC(C(O)=O)=O