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5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1-methyl-5H-pyrido[4,3-b]indole
SpectraBase Compound ID 1s7ho2D437t
InChI InChI=1S/C26H21FN2/c1-16-12-17(2)14-21(13-16)29-24-7-5-4-6-22(24)26-18(3)28-23(15-25(26)29)19-8-10-20(27)11-9-19/h4-15H,1-3H3
InChIKey OCCDZARRYHMZFD-UHFFFAOYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C26H21FN2
Exact Mass 380.168877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpTjggD5nuR
Name 5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1-methyl-5H-pyrido[4,3-b]indole
Appearance Yellow solid
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Exact Mass 380.168876847 u
Formula C26H21FN2
InChI InChI=1S/C26H21FN2/c1-16-12-17(2)14-21(13-16)29-24-7-5-4-6-22(24)26-18(3)28-23(15-25(26)29)19-8-10-20(27)11-9-19/h4-15H,1-3H3
InChIKey OCCDZARRYHMZFD-UHFFFAOYSA-N
Instrument Name Micromass GCTTM
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/ejoc.201901035
Molecular Weight 380.466 g/mol
Quality 59
Reported Formula C26H21FN2
SMILES CC=1C=C(C=C(C1)N1C2=C(C3=C1C=CC=C3)C(=NC(=C2)C1=CC=C(C=C1)F)C)C
SPLASH splash10-001i-0009000000-fbc3475fb82284bb94ea
Source of Spectrum K1-2019-SM55-4i (DOI: 10.1002/ejoc.201901035)
Wiley ID 1897062