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4-N-(4-fluorophenyl)-2-N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 8tgJHE3JcFD
InChI InChI=1S/C19H20FN7O/c20-14-6-8-15(9-7-14)22-17-23-18(26-21-13-16-5-4-12-28-16)25-19(24-17)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,22,23,24,25,26)/b21-13+
InChIKey ANDCOOMDDOLLRM-FYJGNVAPSA-N
Mol Weight 381.42 g/mol
Molecular Formula C19H20FN7O
Exact Mass 381.171336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lXHeQCwCgJ
Name 4-N-(4-Fluorophenyl)-2-N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.171336454 u
Formula C19H20FN7O
InChI InChI=1S/C19H20FN7O/c20-14-6-8-15(9-7-14)22-17-23-18(26-21-13-16-5-4-12-28-16)25-19(24-17)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,22,23,24,25,26)/b21-13+
InChIKey ANDCOOMDDOLLRM-FYJGNVAPSA-N
Molecular Weight 381.415 g/mol
SMILES C1(=NC(NC=2C=CC(=CC2)F)=NC(=N1)N\N=C\C=1OC=CC1)N1CCCCC1