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

*Links on SpectraBase are not permalinks.

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
SpectraBase Compound ID ITPCmZhtIOQ
InChI InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
InChIKey BVPKYBMUQDZTJH-UHFFFAOYSA-N
Mol Weight 196.17 g/mol
Molecular Formula C8H11F3O2
Exact Mass 196.071114 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6qdEqZCzaQ3
Name 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 469548
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11F3O2
InChI InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
InChIKey BVPKYBMUQDZTJH-UHFFFAOYSA-N
Molecular Weight 196.169 g/mol
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms PTA; Pivaloyltrifluoroacetone
Wiley ID SIAL_13CNMR_014747