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4-Bromo-1-(4-fluorobenzyl)-1H-benzotriazole
SpectraBase Compound ID Ijr4eWjrHIK
InChI InChI=1S/C13H9BrFN3/c14-11-2-1-3-12-13(11)16-17-18(12)8-9-4-6-10(15)7-5-9/h1-7H,8H2
InChIKey OGCWGNCRJWEJJO-UHFFFAOYSA-N
Mol Weight 306.14 g/mol
Molecular Formula C13H9BrFN3
Exact Mass 304.996388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35rmDnrziLq
Name 4-Bromo-1-(4-fluorobenzyl)-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9BrFN3
InChI InChI=1S/C13H9BrFN3/c14-11-2-1-3-12-13(11)16-17-18(12)8-9-4-6-10(15)7-5-9/h1-7H,8H2
InChIKey OGCWGNCRJWEJJO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 XP
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.jmedchem.8b00161
Molecular Weight 306.138 g/mol
SMILES c1cc(c2nn[n](Cc3ccc(cc3)F)c2c1)Br
SPLASH splash10-0a4i-0923000000-578c07fcc269b2ee8046
Source of Spectrum AF-62-243-33
Wiley ID 1871933