For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[4-Chloro-2-(trifluoromethyl)anilino]-1,1,1,3,3,3-hexafluoro-2-isovaleramidopropane
SpectraBase Compound ID J3YzNxum6TV
InChI InChI=1S/C15H14ClF9N2O/c1-7(2)5-11(28)27-13(14(20,21)22,15(23,24)25)26-10-4-3-8(16)6-9(10)12(17,18)19/h3-4,6-7,26H,5H2,1-2H3,(H,27,28)
InChIKey IZBUHWOTAAGJPI-UHFFFAOYSA-N
Mol Weight 444.73 g/mol
Molecular Formula C15H14ClF9N2O
Exact Mass 444.065094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LWAVvwuJr30
Name 2-[4-CHLORO-2-(TRIFLUOROMETHYL)ANILINO]-1,1,1,3,3,3-HEXAFLUORO-2-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C15H14ClF9N2O
InChI InChI=1S/C15H14ClF9N2O/c1-7(2)5-11(28)27-13(14(20,21)22,15(23,24)25)26-10-4-3-8(16)6-9(10)12(17,18)19/h3-4,6-7,26H,5H2,1-2H3,(H,27,28)
InChIKey IZBUHWOTAAGJPI-UHFFFAOYSA-N
Molecular Weight 444.0648
SMILES N(C(NC(CC(C)C)=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1C(F)(F)F
SPLASH splash10-052f-9211000000-15366c35dcbda80e7194
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany