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Benzaldehyde, 4-hydroxy-3-methoxy-, [4-(4-morpholinyl)-6-[[3-(trifluoromethyl)phenyl]amino]-1,3,5-triazin-2-yl]hydrazone
SpectraBase Compound ID AV03rSdznyV
InChI InChI=1S/C22H22F3N7O3/c1-34-18-11-14(5-6-17(18)33)13-26-31-20-28-19(29-21(30-20)32-7-9-35-10-8-32)27-16-4-2-3-15(12-16)22(23,24)25/h2-6,11-13,33H,7-10H2,1H3,(H2,27,28,29,30,31)/b26-13+
InChIKey WXEMYLHDDXIYGK-LGJNPRDNSA-N
Mol Weight 489.46 g/mol
Molecular Formula C22H22F3N7O3
Exact Mass 489.173622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuGVTl70tcp
Name Benzaldehyde, 4-hydroxy-3-methoxy-, [4-(4-morpholinyl)-6-[[3-(trifluoromethyl)phenyl]amino]-1,3,5-triazin-2-yl]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.173622082 u
Formula C22H22F3N7O3
InChI InChI=1S/C22H22F3N7O3/c1-34-18-11-14(5-6-17(18)33)13-26-31-20-28-19(29-21(30-20)32-7-9-35-10-8-32)27-16-4-2-3-15(12-16)22(23,24)25/h2-6,11-13,33H,7-10H2,1H3,(H2,27,28,29,30,31)/b26-13+
InChIKey WXEMYLHDDXIYGK-LGJNPRDNSA-N
Molecular Weight 489.459 g/mol
SMILES N(C1=NC(=NC(=N1)N1CCOCC1)N\N=C\C=1C=CC(=C(C1)OC)O)C=1C=C(C(F)(F)F)C=CC1