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

*Links on SpectraBase are not permalinks.
6-tert-Butyl-3-(trifluoromethyl)-2,3-dihydro-1,4-benzoxathiine
SpectraBase Compound ID 7gReRl386Do
InChI InChI=1S/C13H15F3OS/c1-12(2,3)8-4-5-9-10(6-8)18-11(7-17-9)13(14,15)16/h4-6,11H,7H2,1-3H3
InChIKey BCCUPFGKVCBITR-UHFFFAOYSA-N
Mol Weight 276.32 g/mol
Molecular Formula C13H15F3OS
Exact Mass 276.079571 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 1RV4KEyKkQT
Name 3-TRIFLUOROMETHYL-5,6-(3-TERT-BUTYLBENZO)-1,4-OXATHIANE
Comments NAME DEFINED (S.T.). SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H15F3OS
InChI InChI=1S/C13H15F3OS/c1-12(2,3)8-4-5-9-10(6-8)18-11(7-17-9)13(14,15)16/h4-6,11H,7H2,1-3H3
InChIKey BCCUPFGKVCBITR-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.SIZOV, A.F.KOLOMIETS, A.V.FOKIN (1991) Izv.Akad.Nauk SSSR(Russ. Lang.): N7,1625-1630.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6