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

*Links on SpectraBase are not permalinks.

Dihydrocapsaicin, o-pentafluoropropionyl-

View entire compound with spectra: 1 NMR

Dihydrocapsaicin, o-pentafluoropropionyl-
SpectraBase Compound ID FTQAYCGmGpA
InChI InChI=1S/C21H28F5NO4/c1-14(2)8-6-4-5-7-9-18(28)27-13-15-10-11-16(17(12-15)30-3)31-19(29)20(22,23)21(24,25)26/h10-12,14H,4-9,13H2,1-3H3,(H,27,28)
InChIKey DJARFYKDJKEUKK-UHFFFAOYSA-N
Mol Weight 453.45 g/mol
Molecular Formula C21H28F5NO4
Exact Mass 453.193849 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 JPLVMhpc27w
Name Dihydrocapsaicin, o-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.193849197 u
Formula C21H28F5NO4
InChI InChI=1S/C21H28F5NO4/c1-14(2)8-6-4-5-7-9-18(28)27-13-15-10-11-16(17(12-15)30-3)31-19(29)20(22,23)21(24,25)26/h10-12,14H,4-9,13H2,1-3H3,(H,27,28)
InChIKey DJARFYKDJKEUKK-UHFFFAOYSA-N
Molecular Weight 453.450 g/mol
SMILES C1=C(C(=CC=C1CNC(CCCCCCC(C)C)=O)OC(C(C(F)(F)F)(F)F)=O)OC