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5,6-Dicyano-3-trifluoromethyl-1(3H)-isobenzofuranimine
SpectraBase Compound ID AMQ0ZXVA79E
InChI InChI=1S/C11H4F3N3O/c12-11(13,14)9-7-1-5(3-15)6(4-16)2-8(7)10(17)18-9/h1-2,9,17H
InChIKey PSTCGIJKCBSYRY-UHFFFAOYSA-N
Mol Weight 251.17 g/mol
Molecular Formula C11H4F3N3O
Exact Mass 251.030646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2mZEeRByql
Name 5,6-Dicyano-3-trifluoromethyl-1(3H)-isobenzofuranimine
Alternate Name(s) 1-imino-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5,6-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C11H4F3N3O
InChI InChI=1S/C11H4F3N3O/c12-11(13,14)9-7-1-5(3-15)6(4-16)2-8(7)10(17)18-9/h1-2,9,17H
InChIKey PSTCGIJKCBSYRY-UHFFFAOYSA-N
Molecular Weight 251.168 g/mol
SMILES N=C1c2c(C(O1)C(F)(F)F)cc(c(C#N)c2)C#N
SPLASH splash10-001i-0940000000-5bee3b570dab794e4388
Source of Spectrum F-52-1795-7
Wiley ID 795215