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1-{[6-(2-Fluorophenyl)pyridin-3-yl]methyl}-1H-benzotriazole
SpectraBase Compound ID 1MzQ5N9v8dO
InChI InChI=1S/C18H13FN4/c19-15-6-2-1-5-14(15)16-10-9-13(11-20-16)12-23-18-8-4-3-7-17(18)21-22-23/h1-11H,12H2
InChIKey LFSGFAHKIYILSN-UHFFFAOYSA-N
Mol Weight 304.33 g/mol
Molecular Formula C18H13FN4
Exact Mass 304.112425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1npP6XTRHg9
Name 1-{[6-(2-Fluorophenyl)pyridin-3-yl]methyl}-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13FN4
InChI InChI=1S/C18H13FN4/c19-15-6-2-1-5-14(15)16-10-9-13(11-20-16)12-23-18-8-4-3-7-17(18)21-22-23/h1-11H,12H2
InChIKey LFSGFAHKIYILSN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 XP
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.jmedchem.8b00161
Molecular Weight 304.328 g/mol
SMILES c1ccc2nn[n](Cc3cnc(-c4c(F)cccc4)cc3)c2c1
SPLASH splash10-004i-0591000000-b23b9cd66de88a2146a6
Source of Spectrum AF-62-242-17
Wiley ID 1871927