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2-[(2-Fluorobenzyl)oxy]benzaldehyde [4,6-di(1-pyrrolidinyl)-1,3,5-triazin-2-yl]hydrazone
SpectraBase Compound ID JeuormupNgt
InChI InChI=1S/C25H28FN7O/c26-21-11-3-1-10-20(21)18-34-22-12-4-2-9-19(22)17-27-31-23-28-24(32-13-5-6-14-32)30-25(29-23)33-15-7-8-16-33/h1-4,9-12,17H,5-8,13-16,18H2,(H,28,29,30,31)/b27-17+
InChIKey IGDJAXUAZCYLBC-WPWMEQJKSA-N
Mol Weight 461.55 g/mol
Molecular Formula C25H28FN7O
Exact Mass 461.233937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtmLoeT9ke8
Name 2-[(2-Fluorobenzyl)oxy]benzaldehyde [4,6-di(1-pyrrolidinyl)-1,3,5-triazin-2-yl]hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 461.233936712 u
Formula C25H28FN7O
InChI InChI=1S/C25H28FN7O/c26-21-11-3-1-10-20(21)18-34-22-12-4-2-9-19(22)17-27-31-23-28-24(32-13-5-6-14-32)30-25(29-23)33-15-7-8-16-33/h1-4,9-12,17H,5-8,13-16,18H2,(H,28,29,30,31)/b27-17+
InChIKey IGDJAXUAZCYLBC-WPWMEQJKSA-N
Molecular Weight 461.545 g/mol
SMILES N(\N=C\C=1C(OCC2=C(F)C=CC=C2)=CC=CC1)C=1N=C(N=C(N1)N1CCCC1)N1CCCC1