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1-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d][1,2,3]triazole
SpectraBase Compound ID KnAJNHCmE5h
InChI InChI=1S/C15H9F3N6/c16-15(17,18)14(24-20-10-5-1-2-6-11(10)21-24)9-23-13-8-4-3-7-12(13)19-22-23/h1-9H
InChIKey YYNFASMZIFOFCT-UHFFFAOYSA-N
Mol Weight 330.27 g/mol
Molecular Formula C15H9F3N6
Exact Mass 330.084079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MJv2g4ECbK
Name 1-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d][1,2,3]triazole
Appearance White solid
Carrier Gas Helium
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Exact Mass 330.084078803 u
Formula C15H9F3N6
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C15H9F3N6/c16-15(17,18)14(24-20-10-5-1-2-6-11(10)21-24)9-23-13-8-4-3-7-12(13)19-22-23/h1-9H
InChIKey YYNFASMZIFOFCT-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 330.274 g/mol
Quality 876
Reported Formula C15H9F3N6
SMILES C=1C=CC=2N=NN(C=C(C(F)(F)F)N3N=C4C=CC=CC4=N3)C2C1
SPLASH splash10-00c0-6962000000-749fff6b2de7f817b80f
Source of Spectrum ACI-61-SM55-52z (DOI: 10.1002/anie.202208420)
Wiley ID 1897982