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3-Methyl-1-(4-nitrophenyl)-5,6-dihydro-4H-pyridazine
SpectraBase Compound ID LyT7pyQChKF
InChI InChI=1S/C11H13N3O2/c1-9-3-2-8-13(12-9)10-4-6-11(7-5-10)14(15)16/h4-7H,2-3,8H2,1H3
InChIKey WSFLFKCIYYNKGF-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C11H13N3O2
Exact Mass 219.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LONfzNrivXB
Name 3-Methyl-1-(4-nitrophenyl)-5,6-dihydro-4H-pyridazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.100776669 u
Formula C11H13N3O2
InChI InChI=1S/C11H13N3O2/c1-9-3-2-8-13(12-9)10-4-6-11(7-5-10)14(15)16/h4-7H,2-3,8H2,1H3
InChIKey WSFLFKCIYYNKGF-UHFFFAOYSA-N
Molecular Weight 219.244 g/mol
SMILES C1=CC(=CC=C1N(=O)=O)N1CCCC(C)=N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924772