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

*Links on SpectraBase are not permalinks.

Phenyl-(4'-normal-pentylphenylethynyl)-iodonium-trifluoroacetate

View entire compound with spectra: 2 NMR

Phenyl-(4'-normal-pentylphenylethynyl)-iodonium-trifluoroacetate
SpectraBase Compound ID 6XZXmh2xt43
InChI InChI=1S/C19H20I.C2HF3O2/c1-2-3-5-8-17-11-13-18(14-12-17)15-16-20-19-9-6-4-7-10-19;3-2(4,5)1(6)7/h4,6-7,9-14H,2-3,5,8H2,1H3;(H,6,7)/q+1;/p-1
InChIKey DWFNOFUAHRSMDF-UHFFFAOYSA-M
Mol Weight 488.29 g/mol
Molecular Formula C21H20F3IO2
Exact Mass 488.046009 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 4NwbpRVrQau
Name Phenyl-(4'-normal-pentylphenylethynyl)-iodonium-trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.046009371 u
Formula C21H20F3IO2
InChI InChI=1S/C19H20I.C2HF3O2/c1-2-3-5-8-17-11-13-18(14-12-17)15-16-20-19-9-6-4-7-10-19;3-2(4,5)1(6)7/h4,6-7,9-14H,2-3,5,8H2,1H3;(H,6,7)/q+1;/p-1
InChIKey DWFNOFUAHRSMDF-UHFFFAOYSA-M
Molecular Weight 488.289 g/mol
SMILES C([O-])(=O)C(F)(F)F.C([I+]C1=CC=CC=C1)#CC1=CC=C(CCCCC)C=C1