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

*Links on SpectraBase are not permalinks.
2-Nitro-5-(phenylsulfonyl)phenyl 2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl ether
SpectraBase Compound ID LYIW5isbFeA
InChI InChI=1S/C19H11F3N2O7S/c20-19(21,22)12-6-9-17(16(10-12)24(27)28)31-18-11-14(7-8-15(18)23(25)26)32(29,30)13-4-2-1-3-5-13/h1-11H
InChIKey ZEFSTRSKNZTFRB-UHFFFAOYSA-N
Mol Weight 468.36 g/mol
Molecular Formula C19H11F3N2O7S
Exact Mass 468.023906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 8P1HBkMrtVZ
Name 2-Nitro-5-(phenylsulfonyl)phenyl 2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.023906358 u
Formula C19H11F3N2O7S
InChI InChI=1S/C19H11F3N2O7S/c20-19(21,22)12-6-9-17(16(10-12)24(27)28)31-18-11-14(7-8-15(18)23(25)26)32(29,30)13-4-2-1-3-5-13/h1-11H
InChIKey ZEFSTRSKNZTFRB-UHFFFAOYSA-N
Molecular Weight 468.359 g/mol
SMILES N(=O)(=O)C=1C(OC=2C(=CC(=CC2)C(F)(F)F)N(=O)=O)=CC(=CC1)S(C=1C=CC=CC1)(=O)=O