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1-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d][1,2,3]triazole
SpectraBase Compound ID 8WDozNwtsqF
InChI InChI=1S/C9H5ClF3N3/c10-8(9(11,12)13)5-16-7-4-2-1-3-6(7)14-15-16/h1-5H
InChIKey VNCBWUDSOXPWJL-UHFFFAOYSA-N
Mol Weight 247.61 g/mol
Molecular Formula C9H5ClF3N3
Exact Mass 247.012409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QILufcqw6v
Name 1-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d][1,2,3]triazole
Appearance Yellow oil
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Formula C9H5ClF3N3
InChI InChI=1S/C9H5ClF3N3/c10-8(9(11,12)13)5-16-7-4-2-1-3-6(7)14-15-16/h1-5H
InChIKey VNCBWUDSOXPWJL-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 247.608 g/mol
Quality 665
Reported Formula C9H5ClF3N3
SMILES C(N1N=NC2=C1C=CC=C2)=C(Cl)C(F)(F)F
SPLASH splash10-01q9-9710000000-6e9d1e2ba53fda2ad880
Source of Spectrum ACI-61-SM55-52x (DOI: 10.1002/anie.202208420)
Wiley ID 1897981