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1-Benzyl-5-(4-methoxyphenyl)-2-(4-trifluoromethylphenyl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID ImpXB717ZAl
InChI InChI=1S/C28H21F3N2O/c1-34-25-13-9-20(10-14-25)23-15-22-16-26(21-7-11-24(12-8-21)28(29,30)31)33(27(22)32-17-23)18-19-5-3-2-4-6-19/h2-17H,18H2,1H3
InChIKey YLQVMPHVYFGKGY-UHFFFAOYSA-N
Mol Weight 458.48 g/mol
Molecular Formula C28H21F3N2O
Exact Mass 458.160598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oeYLSXcNZX
Name 1-Benzyl-5-(4-methoxyphenyl)-2-(4-trifluoromethylphenyl)-1H-pyrrolo[2,3-b]pyridine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21F3N2O
InChI InChI=1S/C28H21F3N2O/c1-34-25-13-9-20(10-14-25)23-15-22-16-26(21-7-11-24(12-8-21)28(29,30)31)33(27(22)32-17-23)18-19-5-3-2-4-6-19/h2-17H,18H2,1H3
InChIKey YLQVMPHVYFGKGY-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 458.484 g/mol
Reported Formula C28H21F3N2O
SMILES c1([n](c2c(c1)cc(cn2)-c1ccc(cc1)OC)Cc1ccccc1)-c1ccc(cc1)C(F)(F)F
SPLASH splash10-0a4i-0009000000-ca05f40d98e9f86f7886
Source of Spectrum ARK-2014-335-6d
Wiley ID 1845638