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3-(2-(Trifluoromethyl)phenyl)-8H-[1,2,3]triazolo[5,1-a]isoindole
SpectraBase Compound ID 7WQIZ3Al6vr
InChI InChI=1S/C16H10F3N3/c17-16(18,19)13-8-4-3-7-12(13)14-15-11-6-2-1-5-10(11)9-22(15)21-20-14/h1-8H,9H2
InChIKey BAUQAZOIYFAAHK-UHFFFAOYSA-N
Mol Weight 301.27 g/mol
Molecular Formula C16H10F3N3
Exact Mass 301.082682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyNhhXsauZx
Name 3-(2-(Trifluoromethyl)phenyl)-8H-[1,2,3]triazolo[5,1-a]isoindole
Appearance Yellow crystals
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Formula C16H10F3N3
InChI InChI=1S/C16H10F3N3/c17-16(18,19)13-8-4-3-7-12(13)14-15-11-6-2-1-5-10(11)9-22(15)21-20-14/h1-8H,9H2
InChIKey BAUQAZOIYFAAHK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201902901
Molecular Weight 301.272 g/mol
Quality 51
Reported Formula C16H10F3N3
SMILES C=1(N=NN2C1C1=C(C2)C=CC=C1)C1=C(C=CC=C1)C(F)(F)F
SPLASH splash10-0k92-0920000000-f25925069da3f6a9f643
Source of Spectrum QE-25-SM11-4b (DOI: 10.1002/chem.201902901)
Wiley ID 1893897