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1-methyl-5-phenyl-3-(4-(trifluoromethyl)phenyl)-5H-pyrido[4,3-b]indole
SpectraBase Compound ID CRTCz7QHD8R
InChI InChI=1S/C25H17F3N2/c1-16-24-20-9-5-6-10-22(20)30(19-7-3-2-4-8-19)23(24)15-21(29-16)17-11-13-18(14-12-17)25(26,27)28/h2-15H,1H3
InChIKey JPKZNZAENMGSPA-UHFFFAOYSA-N
Mol Weight 402.42 g/mol
Molecular Formula C25H17F3N2
Exact Mass 402.134383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hoohu0LnTXd
Name 1-methyl-5-phenyl-3-(4-(trifluoromethyl)phenyl)-5H-pyrido[4,3-b]indole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.134383044 u
Formula C25H17F3N2
InChI InChI=1S/C25H17F3N2/c1-16-24-20-9-5-6-10-22(20)30(19-7-3-2-4-8-19)23(24)15-21(29-16)17-11-13-18(14-12-17)25(26,27)28/h2-15H,1H3
InChIKey JPKZNZAENMGSPA-UHFFFAOYSA-N
Instrument Name Micromass GCTTM
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/ejoc.201901035
Molecular Weight 402.420 g/mol
Quality 313
Reported Formula C25H17N2F3
SMILES CC1=NC(=CC=2N(C3=C(C12)C=CC=C3)C1=CC=CC=C1)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-0udi-0000900000-de2b327c3e481999cfaf
Source of Spectrum K1-2019-SM24-3d (DOI: 10.1002/ejoc.201901035)
Wiley ID 1897042