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4,4-Dibromo-1-(4-methoxy)-phenyl-3-phenyl-2-pyrazolin-5-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4,4-Dibromo-1-(4-methoxy)-phenyl-3-phenyl-2-pyrazolin-5-one
SpectraBase Compound ID 9zFgGwrctr1
InChI InChI=1S/C16H12Br2N2O2/c1-22-13-9-7-12(8-10-13)20-15(21)16(17,18)14(19-20)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey NEDCMAVYYSQGMB-UHFFFAOYSA-N
Mol Weight 424.09 g/mol
Molecular Formula C16H12Br2N2O2
Exact Mass 421.926554 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LwJZvyzzAJl
Name 4,4-Dibromo-1-(4-methoxy)-phenyl-3-phenyl-2-pyrazolin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.926553632 u
Formula C16H12Br2N2O2
InChI InChI=1S/C16H12Br2N2O2/c1-22-13-9-7-12(8-10-13)20-15(21)16(17,18)14(19-20)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey NEDCMAVYYSQGMB-UHFFFAOYSA-N
Molecular Weight 424.092 g/mol
SMILES C1(C(N(C=2C=CC(=CC2)OC)N=C1C1=CC=CC=C1)=O)(Br)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905385