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1-[(2'-Chloro-4'-fluorobiphenyl-4-yl)methyl]-1H-benzotriazole
SpectraBase Compound ID 3DxbzjJRStB
InChI InChI=1S/C19H13ClFN3/c20-17-11-15(21)9-10-16(17)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2
InChIKey OVIXXVLMLSZOCW-UHFFFAOYSA-N
Mol Weight 337.79 g/mol
Molecular Formula C19H13ClFN3
Exact Mass 337.078203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ey6lneKngI5
Name 1-[(2'-Chloro-4'-fluorobiphenyl-4-yl)methyl]-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13ClFN3
InChI InChI=1S/C19H13ClFN3/c20-17-11-15(21)9-10-16(17)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2
InChIKey OVIXXVLMLSZOCW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 XP
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.jmedchem.8b00161
Molecular Weight 337.785 g/mol
SMILES c1ccc2nn[n](Cc3ccc(-c4c(Cl)cc(cc4)F)cc3)c2c1
SPLASH splash10-0a5i-0249000000-4524f517a9862c1c0fbc
Source of Spectrum AF-62-242-13
Wiley ID 1871923