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

*Links on SpectraBase are not permalinks.
o-(3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl) o,o-diethyl thiophosphate
SpectraBase Compound ID CUkhvs3BgEj
InChI InChI=1S/C15H14F3N2O3PS2/c1-3-21-24(25,22-4-2)23-14-10(9-19)11(15(16,17)18)8-12(20-14)13-6-5-7-26-13/h5-8H,3-4H2,1-2H3
InChIKey CIQVYLYSFSKGLM-UHFFFAOYSA-N
Mol Weight 422.38 g/mol
Molecular Formula C15H14F3N2O3PS2
Exact Mass 422.013556 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 IDL89OVylrn
Name o-(3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl) o,o-diethyl thiophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.013556151 u
Formula C15H14F3N2O3PS2
InChI InChI=1S/C15H14F3N2O3PS2/c1-3-21-24(25,22-4-2)23-14-10(9-19)11(15(16,17)18)8-12(20-14)13-6-5-7-26-13/h5-8H,3-4H2,1-2H3
InChIKey CIQVYLYSFSKGLM-UHFFFAOYSA-N
Molecular Weight 422.377 g/mol
SMILES C1(OP(OCC)(OCC)=S)=NC(C2=CC=CS2)=CC(=C1C#N)C(F)(F)F