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phenol, 2-[(E)-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imino]methyl]-
SpectraBase Compound ID 7KHhgJAFqpm
InChI InChI=1S/C20H20N4O/c25-18-11-6-3-8-15(18)14-21-17-10-5-4-9-16(17)20-23-22-19-12-2-1-7-13-24(19)20/h3-6,8-11,14,25H,1-2,7,12-13H2/b21-14+
InChIKey VDOOATFLVHFHGU-KGENOOAVSA-N
Mol Weight 332.41 g/mol
Molecular Formula C20H20N4O
Exact Mass 332.163711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46wBDKt25wh
Name 2-[[2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenylimino]methyl]phenol
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Formula C20H20N4O
InChI InChI=1S/C20H20N4O/c25-18-11-6-3-8-15(18)14-21-17-10-5-4-9-16(17)20-23-22-19-12-2-1-7-13-24(19)20/h3-6,8-11,14,25H,1-2,7,12-13H2/b21-14+
InChIKey VDOOATFLVHFHGU-KGENOOAVSA-N
Molecular Weight 332.407 g/mol
SMILES Oc1c(\C=N\c2c(-c3[n]4c(CCCCC4)nn3)cccc2)cccc1
SPLASH splash10-03e9-7961000000-e7a3f2b80bce5bedebb8
Wiley ID 1454433