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[2-ethynyl-5-(trifluoromethyl)phenyl]amine
SpectraBase Compound ID HbT0zKLvBgl
InChI InChI=1S/C9H6F3N/c1-2-6-3-4-7(5-8(6)13)9(10,11)12/h1,3-5H,13H2
InChIKey VGCQJLPNRCDCLZ-UHFFFAOYSA-N
Mol Weight 185.15 g/mol
Molecular Formula C9H6F3N
Exact Mass 185.045234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qi1NF2fetf
Name 2-Ethynyl-5-(trifluoromethyl)aniline
Alternate Name(s) [2-ethynyl-5-(trifluoromethyl)phenyl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C9H6F3N
InChI InChI=1S/C9H6F3N/c1-2-6-3-4-7(5-8(6)13)9(10,11)12/h1,3-5H,13H2
InChIKey VGCQJLPNRCDCLZ-UHFFFAOYSA-N
Molecular Weight 185.149 g/mol
SMILES Nc1c(ccc(c1)C(F)(F)F)C#C
SPLASH splash10-000i-0900000000-9cd1a421bfc7bc8d2b42
Source of Spectrum C5-2004-615-1
Wiley ID 1616740