4-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-ANILINE

SpectraBase Compound ID	KDKKK68Wha4
InChI	InChI=1S/C13H8F13N/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-1-3-7(27)4-2-6/h1-4H,5,27H2
InChIKey	ROVNHKCCYHOFIY-UHFFFAOYSA-N Google Search
Mol Weight	425.19 g/mol
Molecular Formula	C13H8F13N
Exact Mass	425.044915 g/mol

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SpectraBase Spectrum ID	Df2bqftnoK
Name	4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]aniline
Alternate Name(s)	4-[3,3,4,4,5,5,5-heptakis(fluoranyl)-2,2-bis(trifluoromethyl)pentyl]aniline [4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]amine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H8F13N
InChI	InChI=1S/C13H8F13N/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-1-3-7(27)4-2-6/h1-4H,5,27H2
InChIKey	ROVNHKCCYHOFIY-UHFFFAOYSA-N
Molecular Weight	425.193 g/mol
SMILES	Nc1ccc(CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)cc1
SPLASH	splash10-0a4i-0900000000-6f3ff1e6290efc4462bd
Source of Spectrum	KC-0-289-13
Wiley ID	827340