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1-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-ylmethylene)-amino]-4,6-dimethyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
SpectraBase Compound ID BdlFX2aRTjP
InChI InChI=1S/C19H16ClN5O/c1-12-9-13(2)24(19(26)16(12)10-21)22-11-17-14(3)23-25(18(17)20)15-7-5-4-6-8-15/h4-9,11H,1-3H3/b22-11+
InChIKey JWAMSVLHYLYUNU-SSDVNMTOSA-N
Mol Weight 365.82 g/mol
Molecular Formula C19H16ClN5O
Exact Mass 365.104338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExohejdOwB5
Name 1-[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-ylmethylene)-amino]-4,6-dimethyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.104337854 u
Formula C19H16ClN5O
InChI InChI=1S/C19H16ClN5O/c1-12-9-13(2)24(19(26)16(12)10-21)22-11-17-14(3)23-25(18(17)20)15-7-5-4-6-8-15/h4-9,11H,1-3H3/b22-11+
InChIKey JWAMSVLHYLYUNU-SSDVNMTOSA-N
Molecular Weight 365.824 g/mol
SMILES C=1(N(N=C(C1\C=N\N1C(C(=C(C)C=C1C)C#N)=O)C)C1=CC=CC=C1)Cl