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(1,1,1,7,7,7-hexafluoro-4-phenylhepta-2,5-diyn-4-yl) benzoate
SpectraBase Compound ID KzNjJJkgl6e
InChI InChI=1S/C20H10F6O2/c21-19(22,23)13-11-18(12-14-20(24,25)26,16-9-5-2-6-10-16)28-17(27)15-7-3-1-4-8-15/h1-10H
InChIKey CNBLVQPOIHGRTG-UHFFFAOYSA-N
Mol Weight 396.29 g/mol
Molecular Formula C20H10F6O2
Exact Mass 396.058499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DexZ1NP9vbq
Name (1,1,1,7,7,7-hexafluoro-4-phenylhepta-2,5-diyn-4-yl) benzoate
Alternate Name(s) benzoic acid (1,1,1,7,7,7-hexafluoro-4-phenylhepta-2,5-diyn-4-yl) ester [4,4,4-trifluoro-1-phenyl-1-(3,3,3-trifluoroprop-1-ynyl)but-2-ynyl] benzoate [1,1,1,7,7,7-hexakis(fluoranyl)-4-phenyl-hepta-2,5-diyn-4-yl] benzoate
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Formula C20H10F6O2
InChI InChI=1S/C20H10F6O2/c21-19(22,23)13-11-18(12-14-20(24,25)26,16-9-5-2-6-10-16)28-17(27)15-7-3-1-4-8-15/h1-10H
InChIKey CNBLVQPOIHGRTG-UHFFFAOYSA-N
Molecular Weight 396.288 g/mol
SMILES C(c1ccccc1)(=O)OC(c1ccccc1)(C#CC(F)(F)F)C#CC(F)(F)F
SPLASH splash10-054o-0290000000-bffbe96cc6542a3e53e8
Source of Spectrum KC-1992-2490-1
Wiley ID 777015