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

*Links on SpectraBase are not permalinks.
1,3-benzenediol, 4-[[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]thio]-
SpectraBase Compound ID LYkrFEx0UfN
InChI InChI=1S/C9H5ClF6O3S/c10-7(11,19-9(14,15)16)8(12,13)20-6-2-1-4(17)3-5(6)18/h1-3,17-18H
InChIKey BWNYFRIKEGXHCS-UHFFFAOYSA-N
Mol Weight 342.64 g/mol
Molecular Formula C9H5ClF6O3S
Exact Mass 341.955212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H 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 EdXSjEEVdsy
Name 1,3-benzenediol, 4-[[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.955211870 u
Formula C9H5ClF6O3S
InChI InChI=1S/C9H5ClF6O3S/c10-7(11,19-9(14,15)16)8(12,13)20-6-2-1-4(17)3-5(6)18/h1-3,17-18H
InChIKey BWNYFRIKEGXHCS-UHFFFAOYSA-N
Molecular Weight 342.639 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15514
Solvent DMSO-d6
Source Vendor ID: ZI/10037614; Lab Info: SIZ; Lab Number: SIZ-0417062