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4-Bromo-1-(4-chloro-3-fluorobenzyl)-1H-benzotriazole
SpectraBase Compound ID K25EgWVCezU
InChI InChI=1S/C13H8BrClFN3/c14-9-2-1-3-12-13(9)17-18-19(12)7-8-4-5-10(15)11(16)6-8/h1-6H,7H2
InChIKey KNYGQMJEWGRJPT-UHFFFAOYSA-N
Mol Weight 340.58 g/mol
Molecular Formula C13H8BrClFN3
Exact Mass 338.957416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Vy6qGD78Oj
Name 4-Bromo-1-(4-chloro-3-fluorobenzyl)-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8BrClFN3
InChI InChI=1S/C13H8BrClFN3/c14-9-2-1-3-12-13(9)17-18-19(12)7-8-4-5-10(15)11(16)6-8/h1-6H,7H2
InChIKey KNYGQMJEWGRJPT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 XP
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.jmedchem.8b00161
Molecular Weight 340.583 g/mol
SMILES c1cc(c2nn[n](Cc3ccc(c(c3)F)Cl)c2c1)Br
SPLASH splash10-000f-0944000000-8c1be90184e131cc8c5c
Source of Spectrum AF-62-243-37
Wiley ID 1871936