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3-(Pyrrolidin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine
SpectraBase Compound ID JettAnrn0SU
InChI InChI=1S/C15H14F3N3/c16-15(17,18)12-5-3-4-11(10-12)13-6-7-14(20-19-13)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2
InChIKey UYWHWKVXQLLIDE-UHFFFAOYSA-N
Mol Weight 293.29 g/mol
Molecular Formula C15H14F3N3
Exact Mass 293.113982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gdQ7yRz8K
Name 3-(Pyrrolidin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine
Appearance White solid
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Exact Mass 293.113981952 u
Formula C15H14F3N3
InChI InChI=1S/C15H14F3N3/c16-15(17,18)12-5-3-4-11(10-12)13-6-7-14(20-19-13)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2
InChIKey UYWHWKVXQLLIDE-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/jo3022428
Molecular Weight 293.293 g/mol
Quality 248
Reported Formula C15H14F3N3
SMILES C1N(CCC1)C=1N=NC(=CC1)C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-0296-0090000000-43fbf09c0daa2748ab80
Source of Spectrum JOC-78-377-2n (DOI: 10.1021/jo3022428)
Wiley ID 1911655