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3-(4-Methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]-pyridazine
SpectraBase Compound ID 5Hfr3SfBBr3
InChI InChI=1S/C16H17F3N4/c1-22-7-9-23(10-8-22)15-6-5-14(20-21-15)12-3-2-4-13(11-12)16(17,18)19/h2-6,11H,7-10H2,1H3
InChIKey SHCJBNSBCOTTNS-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C16H17F3N4
Exact Mass 322.140531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMiTxEyadyP
Name 3-(4-Methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]-pyridazine
Appearance Pale yellow solid
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Exact Mass 322.140531052 u
Formula C16H17F3N4
InChI InChI=1S/C16H17F3N4/c1-22-7-9-23(10-8-22)15-6-5-14(20-21-15)12-3-2-4-13(11-12)16(17,18)19/h2-6,11H,7-10H2,1H3
InChIKey SHCJBNSBCOTTNS-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/jo3022428
Molecular Weight 322.335 g/mol
Quality 62
Reported Formula C16H17F3N4
SMILES CN1CCN(CC1)C=1N=NC(=CC1)C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-0udi-0190000000-5b76e98a1f1c7659ade5
Source of Spectrum JOC-78-377-2l (DOI: 10.1021/jo3022428)
Wiley ID 1911653