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(3E,6E)-Nona-3,6-dienyl 2,2,3,3,3-pentafluoropropanoate

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

(3E,6E)-Nona-3,6-dienyl 2,2,3,3,3-pentafluoropropanoate
SpectraBase Compound ID IKvp5cnlu7K
InChI InChI=1S/C12H15F5O2/c1-2-3-4-5-6-7-8-9-19-10(18)11(13,14)12(15,16)17/h3-4,6-7H,2,5,8-9H2,1H3/b4-3+,7-6+
InChIKey WSCOSEJKVUIHDJ-FZWLCVONSA-N
Mol Weight 286.24 g/mol
Molecular Formula C12H15F5O2
Exact Mass 286.099221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6pbiPWovvUP
Name (3E,6E)-Nona-3,6-dienyl 2,2,3,3,3-pentafluoropropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.099220536 u
Formula C12H15F5O2
InChI InChI=1S/C12H15F5O2/c1-2-3-4-5-6-7-8-9-19-10(18)11(13,14)12(15,16)17/h3-4,6-7H,2,5,8-9H2,1H3/b4-3+,7-6+
InChIKey WSCOSEJKVUIHDJ-FZWLCVONSA-N
Molecular Weight 286.242 g/mol
SMILES C(OC(C(F)(C(F)(F)F)F)=O)C\C=C\C\C=C\CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843285