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2-{2-(3',3',4',4',5',5',6',6',7',7',8',8',8'-Tridecafluorooctyl)-5-(trifluoromethyl)phenyl}-pyridine
SpectraBase Compound ID 5QsD8vBgiNd
InChI InChI=1S/C20H11F16N/c21-14(22,16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36)7-6-10-4-5-11(15(23,24)25)9-12(10)13-3-1-2-8-37-13/h1-5,8-9H,6-7H2
InChIKey NRMTVRWZRADQEW-UHFFFAOYSA-N
Mol Weight 569.29 g/mol
Molecular Formula C20H11F16N
Exact Mass 569.0636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTqiZw4dE9D
Name 2-{2-(3',3',4',4',5',5',6',6',7',7',8',8',8'-Tridecafluorooctyl)-5-(trifluoromethyl)phenyl}-pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11F16N
InChI InChI=1S/C20H11F16N/c21-14(22,16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36)7-6-10-4-5-11(15(23,24)25)9-12(10)13-3-1-2-8-37-13/h1-5,8-9H,6-7H2
InChIKey NRMTVRWZRADQEW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201208446
Molecular Weight 569.289 g/mol
SMILES C(CCc1ccc(cc1-c1ncccc1)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)F)F)(F)F
SPLASH splash10-0udi-1090010000-8a957787d72708e7c49a
Source of Spectrum ACI-52-SMS28-8e
Synonyms 2-(2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl)pyridine
Wiley ID 1781084