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3-[(4-fluorobenzyl)amino]-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SpectraBase Compound ID KM5WyYgT0nv
InChI InChI=1S/C16H12FN5O/c17-11-7-5-10(6-8-11)9-18-14-15(23)22-13-4-2-1-3-12(13)19-16(22)21-20-14/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey DTMJVJWIDRDGPR-UHFFFAOYSA-N
Mol Weight 309.3 g/mol
Molecular Formula C16H12FN5O
Exact Mass 309.102588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1axmJdqwEZo
Name 3-[(4-fluorobenzyl)amino]-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Alternate Name(s) 3-[(4-fluorophenyl)methylamino]-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H12FN5O
InChI InChI=1S/C16H12FN5O/c17-11-7-5-10(6-8-11)9-18-14-15(23)22-13-4-2-1-3-12(13)19-16(22)21-20-14/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey DTMJVJWIDRDGPR-UHFFFAOYSA-N
Molecular Weight 309.304 g/mol
SMILES N(C=1C(N2C(=NN1)Nc1c2cccc1)=O)Cc1ccc(cc1)F
SPLASH splash10-0a4i-0902000000-d8697adba0ef8de7f47a
Source of Spectrum D9-336-417-2
Wiley ID 1551060