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Pyridazine-3,6(1H,2H)-dione, 1-(3-trifluoromethylphenyl)-

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

Pyridazine-3,6(1H,2H)-dione, 1-(3-trifluoromethylphenyl)-
SpectraBase Compound ID JdG31AiKSyC
InChI InChI=1S/C11H7F3N2O2/c12-11(13,14)7-2-1-3-8(6-7)16-10(18)5-4-9(17)15-16/h1-6H,(H,15,17)
InChIKey DBAHMNGRXMJPSK-UHFFFAOYSA-N
Mol Weight 256.18 g/mol
Molecular Formula C11H7F3N2O2
Exact Mass 256.045962 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2mmWbouP3Qa
Name Pyridazine-3,6(1H,2H)-dione, 1-(3-trifluoromethylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.045961960 u
Formula C11H7F3N2O2
InChI InChI=1S/C11H7F3N2O2/c12-11(13,14)7-2-1-3-8(6-7)16-10(18)5-4-9(17)15-16/h1-6H,(H,15,17)
InChIKey DBAHMNGRXMJPSK-UHFFFAOYSA-N
Molecular Weight 256.184 g/mol
SMILES C1=CC(C(F)(F)F)=CC(N2C(C=CC(N2)=O)=O)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866338