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4-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-NITROBENZENE
SpectraBase Compound ID HUDdo4bhNbo
InChI InChI=1S/C13H6F13NO2/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-1-3-7(4-2-6)27(28)29/h1-4H,5H2
InChIKey VMULIOSQSIUXFC-UHFFFAOYSA-N
Mol Weight 455.18 g/mol
Molecular Formula C13H6F13NO2
Exact Mass 455.019095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApQg5RVjqpN
Name 1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-4-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6F13NO2
InChI InChI=1S/C13H6F13NO2/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-1-3-7(4-2-6)27(28)29/h1-4H,5H2
InChIKey VMULIOSQSIUXFC-UHFFFAOYSA-N
Molecular Weight 455.175 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)Cc1ccc(N(=O)=O)cc1
SPLASH splash10-052r-4900100000-a53d6391ee793b238281
Source of Spectrum KC-0-287-4
Synonyms 1-[3,3,4,4,5,5,5-heptakis(fluoranyl)-2,2-bis(trifluoromethyl)pentyl]-4-nitro-benzene
Wiley ID 827356