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Phthalazine-1,4(2H,3H)-dione, 2-(5-chloro-2-methylphenyl)-

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

Phthalazine-1,4(2H,3H)-dione, 2-(5-chloro-2-methylphenyl)-
SpectraBase Compound ID 8o18gMBKuNe
InChI InChI=1S/C15H11ClN2O2/c1-9-6-7-10(16)8-13(9)18-15(20)12-5-3-2-4-11(12)14(19)17-18/h2-8H,1H3,(H,17,19)
InChIKey FMLSBBQSCYHORM-UHFFFAOYSA-N
Mol Weight 286.72 g/mol
Molecular Formula C15H11ClN2O2
Exact Mass 286.050905 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jzw0VScq5QB
Name Phthalazine-1,4(2H,3H)-dione, 2-(5-chloro-2-methylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.050905300 u
Formula C15H11ClN2O2
InChI InChI=1S/C15H11ClN2O2/c1-9-6-7-10(16)8-13(9)18-15(20)12-5-3-2-4-11(12)14(19)17-18/h2-8H,1H3,(H,17,19)
InChIKey FMLSBBQSCYHORM-UHFFFAOYSA-N
SMILES C1=CC2=C(C(N(C3=CC(=CC=C3C)Cl)NC2=O)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942364