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3-(p-Bromophenyl)-3',4'-dichloro-2-pyrazoline-1-carboxanilide

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

3-(p-Bromophenyl)-3',4'-dichloro-2-pyrazoline-1-carboxanilide
SpectraBase Compound ID E9LcX5rEPNr
InChI InChI=1S/C16H12BrCl2N3O/c17-11-3-1-10(2-4-11)15-7-8-22(21-15)16(23)20-12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,23)
InChIKey WWZZXJXLMDSACA-UHFFFAOYSA-N
Mol Weight 413.1 g/mol
Molecular Formula C16H12BrCl2N3O
Exact Mass 410.95408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhMlVuNhjDr
Name 3-(p-Bromophenyl)-3',4'-dichloro-2-pyrazoline-1-carboxanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.954080417 u
Formula C16H12BrCl2N3O
InChI InChI=1S/C16H12BrCl2N3O/c17-11-3-1-10(2-4-11)15-7-8-22(21-15)16(23)20-12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,23)
InChIKey WWZZXJXLMDSACA-UHFFFAOYSA-N
Molecular Weight 413.102 g/mol
SMILES N(C(N1CCC(=N1)C1=CC=C(C=C1)Br)=O)C=1C=C(C(=CC1)Cl)Cl