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

*Links on SpectraBase are not permalinks.
3-METHYL-6-TRIFLUOROMETHYL-5-PERFLUOROETHYL-2,3-DIHYDRO-1,4-DIOXEPIN-6-ONE-5
SpectraBase Compound ID E2HMfqHqaTf
InChI InChI=1S/C9H6F8O3/c1-3-2-19-5(7(10,11)9(15,16)17)4(6(18)20-3)8(12,13)14/h3H,2H2,1H3
InChIKey KRANTDRTEQTDOR-UHFFFAOYSA-N
Mol Weight 314.13 g/mol
Molecular Formula C9H6F8O3
Exact Mass 314.018919 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID K7m9ZE9KRCZ
Name 3-METHYL-6-TRIFLUOROMETHYL-5-PERFLUOROETHYL-2,3-DIHYDRO-1,4-DIOXEPIN-6-ONE-5
Comments INTERNAL STANDARD IS CFCL3: 77.6 FROM CF3COOH. SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H6F8O3
InChI InChI=1S/C9H6F8O3/c1-3-2-19-5(7(10,11)9(15,16)17)4(6(18)20-3)8(12,13)14/h3H,2H2,1H3
InChIKey KRANTDRTEQTDOR-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.F.SNEGIREV, K.N.MAKAROV (1985) Izv.Akad.Nauk SSSR(Russ. Lang.): N9, 2066-2076.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported