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

*Links on SpectraBase are not permalinks.

Cinnamyl alcohol, pentafluoropropionate

View entire compound with spectra: 1 NMR, and 1 FTIR

Cinnamyl alcohol, pentafluoropropionate
SpectraBase Compound ID 2DW5AXlrA4U
InChI InChI=1S/C12H9F5O2/c13-11(14,12(15,16)17)10(18)19-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKey VXUDWQVXKUKUEN-QPJJXVBHSA-N
Mol Weight 280.19 g/mol
Molecular Formula C12H9F5O2
Exact Mass 280.05227 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Lr6ncuvfCEu
Name Cinnamyl alcohol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.052270343 u
Formula C12H9F5O2
InChI InChI=1S/C12H9F5O2/c13-11(14,12(15,16)17)10(18)19-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKey VXUDWQVXKUKUEN-QPJJXVBHSA-N
Molecular Weight 280.194 g/mol
SMILES C(\C=C\C1=CC=CC=C1)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962812