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1-Benzyl-4-methyl-3,6[1H,2H]-pyridazinedione

View entire compound with spectra: 1 FTIR

1-Benzyl-4-methyl-3,6[1H,2H]-pyridazinedione
SpectraBase Compound ID JYOyAY99CIZ
InChI InChI=1S/C12H12N2O2/c1-9-7-11(15)14(13-12(9)16)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,16)
InChIKey SOLREEWSDPFJCI-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID kNdKRecIza
Name 1-Benzyl-4-methyl-3,6[1H,2H]-pyridazinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.089877632 u
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-9-7-11(15)14(13-12(9)16)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,16)
InChIKey SOLREEWSDPFJCI-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES C1(=CC(N(NC1=O)CC1=CC=CC=C1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949654