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3-(4-fluorophenyl)-1-methyl-5-(4-(trifluoromethyl)phenyl)-5H-pyrido[4,3-b]indole
SpectraBase Compound ID B68f4O8cIVp
InChI InChI=1S/C25H16F4N2/c1-15-24-20-4-2-3-5-22(20)31(19-12-8-17(9-13-19)25(27,28)29)23(24)14-21(30-15)16-6-10-18(26)11-7-16/h2-14H,1H3
InChIKey MNXISRCQSQBLSZ-UHFFFAOYSA-N
Mol Weight 420.41 g/mol
Molecular Formula C25H16F4N2
Exact Mass 420.124961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKDDUJ6xsLN
Name 3-(4-fluorophenyl)-1-methyl-5-(4-(trifluoromethyl)phenyl)-5H-pyrido[4,3-b]indole
Appearance White solid
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Exact Mass 420.124961175 u
Formula C25H16F4N2
InChI InChI=1S/C25H16F4N2/c1-15-24-20-4-2-3-5-22(20)31(19-12-8-17(9-13-19)25(27,28)29)23(24)14-21(30-15)16-6-10-18(26)11-7-16/h2-14H,1H3
InChIKey MNXISRCQSQBLSZ-UHFFFAOYSA-N
Instrument Name Micromass GCTTM
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/ejoc.201901035
Molecular Weight 420.411 g/mol
Quality 571
Reported Formula C25H16N2F4
SMILES C1(F)=CC=C(C=C1)C1=CC=2N(C3=C(C2C(=N1)C)C=CC=C3)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-00xr-0000900000-b6988c36cc0561a5a7c5
Source of Spectrum K1-2019-SM47-4d (DOI: 10.1002/ejoc.201901035)
Wiley ID 1897057