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3-Benzyl-6-(bromomethyl)-5-chloro-1-phenyl-pyrazin-2-one

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

3-Benzyl-6-(bromomethyl)-5-chloro-1-phenyl-pyrazin-2-one
SpectraBase Compound ID 5oVUcWt6dRl
InChI InChI=1S/C18H14BrClN2O/c19-12-16-17(20)21-15(11-13-7-3-1-4-8-13)18(23)22(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey WPVMOQNTZAXDKL-UHFFFAOYSA-N
Mol Weight 389.68 g/mol
Molecular Formula C18H14BrClN2O
Exact Mass 387.997804 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E9cYEyfPOrA
Name 3-Benzyl-6-(bromomethyl)-5-chloro-1-phenyl-pyrazin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.997803778 u
Formula C18H14BrClN2O
InChI InChI=1S/C18H14BrClN2O/c19-12-16-17(20)21-15(11-13-7-3-1-4-8-13)18(23)22(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey WPVMOQNTZAXDKL-UHFFFAOYSA-N
Molecular Weight 389.680 g/mol
SMILES C=1(N(C(C(=NC1Cl)CC=1C=CC=CC1)=O)C1=CC=CC=C1)CBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875507