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1-[4-(o-Bromophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole, oxalate(1:2)

View entire compound with spectra: 2 NMR, and 1 FTIR

1-[4-(o-Bromophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole, oxalate(1:2)
SpectraBase Compound ID HZvsdjsioiV
InChI InChI=1S/C19H17BrCl2N2O.2C2H2O4/c20-17-3-1-2-4-19(17)25-10-7-14(12-24-9-8-23-13-24)16-6-5-15(21)11-18(16)22;2*3-1(4)2(5)6/h1-6,8-9,11,13-14H,7,10,12H2;2*(H,3,4)(H,5,6)
InChIKey JBGRLPHEKAVJKM-UHFFFAOYSA-N
Mol Weight 620.24 g/mol
Molecular Formula C23H21BrCl2N2O9
Exact Mass 617.980749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70PaSXUaA0M
Name 1-[4-(o-Bromophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole, oxalate(1:2)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 617.980748655 u
Formula C23H21BrCl2N2O9
InChI InChI=1S/C19H17BrCl2N2O.2C2H2O4/c20-17-3-1-2-4-19(17)25-10-7-14(12-24-9-8-23-13-24)16-6-5-15(21)11-18(16)22;2*3-1(4)2(5)6/h1-6,8-9,11,13-14H,7,10,12H2;2*(H,3,4)(H,5,6)
InChIKey JBGRLPHEKAVJKM-UHFFFAOYSA-N
Molecular Weight 620.236 g/mol
SMILES C=1C(=C(C=C(C1)Cl)Cl)C(CCOC=1C(=CC=CC1)Br)CN1C=CN=C1.OC(C(O)=O)=O.OC(C(O)=O)=O