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2-[2-(Trifluoromethyl)phenyl]-1,1,2-ethanetricarbonitrile
SpectraBase Compound ID 9GBARqhF2Wq
InChI InChI=1S/C12H6F3N3/c13-12(14,15)11-4-2-1-3-9(11)10(7-18)8(5-16)6-17/h1-4,8,10H
InChIKey COBCTLKHWJIAME-UHFFFAOYSA-N
Mol Weight 249.2 g/mol
Molecular Formula C12H6F3N3
Exact Mass 249.051382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT4jkDRCtaW
Name 2-[2-(Trifluoromethyl)phenyl]-1,1,2-ethanetricarbonitrile
CAS Registry Number 122165-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F3N3
InChI InChI=1S/C12H6F3N3/c13-12(14,15)11-4-2-1-3-9(11)10(7-18)8(5-16)6-17/h1-4,8,10H
InChIKey COBCTLKHWJIAME-UHFFFAOYSA-N
Molecular Weight 249.196 g/mol
SMILES C(c1c(C(C#N)C(C#N)C#N)cccc1)(F)(F)F
SPLASH splash10-00lr-6900000000-d0c627c26ac4daa73396
Source of Spectrum AD-0-2532-0
Synonyms 2-[2-(trifluoromethyl)phenyl]ethane-1,1,2-tricarbonitrile Ethane-1,1,2-tricarbonitrile, 2-(2-trifluoromethylphenyl)-
Wiley ID 1430287