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

*Links on SpectraBase are not permalinks.

2-[bis(2,2,2-Trifluoroethoxy)phosphoryl]-6-methyl-5-heptenoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[bis(2,2,2-Trifluoroethoxy)phosphoryl]-6-methyl-5-heptenoic acid methyl ester
SpectraBase Compound ID 9QHA81rOF6R
InChI InChI=1S/C13H19F6O5P/c1-9(2)5-4-6-10(11(20)22-3)25(21,23-7-12(14,15)16)24-8-13(17,18)19/h5,10H,4,6-8H2,1-3H3
InChIKey WIJADAZEAZSYIZ-UHFFFAOYSA-N
Mol Weight 400.25 g/mol
Molecular Formula C13H19F6O5P
Exact Mass 400.08743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HoaIxJQMNyZ
Name 2-[bis(2,2,2-Trifluoroethoxy)phosphoryl]-6-methyl-5-heptenoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.087429683 u
Formula C13H19F6O5P
InChI InChI=1S/C13H19F6O5P/c1-9(2)5-4-6-10(11(20)22-3)25(21,23-7-12(14,15)16)24-8-13(17,18)19/h5,10H,4,6-8H2,1-3H3
InChIKey WIJADAZEAZSYIZ-UHFFFAOYSA-N
Molecular Weight 400.254 g/mol
SMILES C(P(OCC(F)(F)F)(OCC(F)(F)F)=O)(C(=O)OC)CCC=C(C)C