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4-[6-(3-(Trifluoromethyl)phenyl)pyridazin-3-yl]morpholine
SpectraBase Compound ID 3ZvIzyyuCB9
InChI InChI=1S/C15H14F3N3O/c16-15(17,18)12-3-1-2-11(10-12)13-4-5-14(20-19-13)21-6-8-22-9-7-21/h1-5,10H,6-9H2
InChIKey NIUCDCBDSIYVDG-UHFFFAOYSA-N
Mol Weight 309.29 g/mol
Molecular Formula C15H14F3N3O
Exact Mass 309.108897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yXVrSjYlU
Name 4-[6-(3-(Trifluoromethyl)phenyl)pyridazin-3-yl]morpholine
Appearance Pale yellow solid
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Exact Mass 309.108896571 u
Formula C15H14F3N3O
InChI InChI=1S/C15H14F3N3O/c16-15(17,18)12-3-1-2-11(10-12)13-4-5-14(20-19-13)21-6-8-22-9-7-21/h1-5,10H,6-9H2
InChIKey NIUCDCBDSIYVDG-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/jo3022428
Molecular Weight 309.292 g/mol
Quality 206
Reported Formula C15H14F3N3O
SMILES C(C=1C=C(C=CC1)C1=CC=C(N=N1)N1CCOCC1)(F)(F)F
SPLASH splash10-0pdi-0194000000-d4f3b77b116f534ad8d4
Source of Spectrum JOC-78-377-2e (DOI: 10.1021/jo3022428)
Wiley ID 1911647