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1-(3-Trifluoromethylphenyl)-1H-1,2,3,4-tetrazole
SpectraBase Compound ID CmiAUQ8hI0T
InChI InChI=1S/C8H5F3N4/c9-8(10,11)6-2-1-3-7(4-6)15-5-12-13-14-15/h1-5H
InChIKey KTIIWHHDNORXPA-UHFFFAOYSA-N
Mol Weight 214.15 g/mol
Molecular Formula C8H5F3N4
Exact Mass 214.046631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VZgYklhrUk
Name 1-(3-Trifluoromethylphenyl)-1H-1,2,3,4-tetrazole
Comments Less than 3 mono-isotopic peaks
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Formula C8H5F3N4
InChI InChI=1S/C8H5F3N4/c9-8(10,11)6-2-1-3-7(4-6)15-5-12-13-14-15/h1-5H
InChIKey KTIIWHHDNORXPA-UHFFFAOYSA-N
Molecular Weight 214.151 g/mol
SMILES c1nnn[n]1-c1cc(C(F)(F)F)ccc1
SPLASH splash10-000i-0900000000-3eb8e5aa0913140448ae
Source of Spectrum U1-2011-2831-7
Synonyms 1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrazole
Wiley ID 1665409