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4-Bromo-1-(2-fluorobenzyl)-1H-benzotriazole
SpectraBase Compound ID FqDUqPeQqnL
InChI InChI=1S/C13H9BrFN3/c14-10-5-3-7-12-13(10)16-17-18(12)8-9-4-1-2-6-11(9)15/h1-7H,8H2
InChIKey XUMOOVKNELYZAB-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 7uaronxJkP7
Name 4-Bromo-1-(2-fluorobenzyl)-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9BrFN3
InChI InChI=1S/C13H9BrFN3/c14-10-5-3-7-12-13(10)16-17-18(12)8-9-4-1-2-6-11(9)15/h1-7H,8H2
InChIKey XUMOOVKNELYZAB-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](Cc3ccccc3F)c2c1)Br
SPLASH splash10-0a4i-0933000000-f979f1c78a90e187fa0d
Source of Spectrum AF-62-243-31
Wiley ID 1871931