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1,6-Heptadien-4-ol , heptafluorobutyrate

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

1,6-Heptadien-4-ol , heptafluorobutyrate
SpectraBase Compound ID 40FR1csS2qc
InChI InChI=1S/C11H11F7O2/c1-3-5-7(6-4-2)20-8(19)9(12,13)10(14,15)11(16,17)18/h3-4,7H,1-2,5-6H2
InChIKey PHJAIHWJRQETNC-UHFFFAOYSA-N
Mol Weight 308.2 g/mol
Molecular Formula C11H11F7O2
Exact Mass 308.064727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7C8q7HWduzd
Name 1,6-Heptadien-4-ol , heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.064726733 u
Formula C11H11F7O2
InChI InChI=1S/C11H11F7O2/c1-3-5-7(6-4-2)20-8(19)9(12,13)10(14,15)11(16,17)18/h3-4,7H,1-2,5-6H2
InChIKey PHJAIHWJRQETNC-UHFFFAOYSA-N
Molecular Weight 308.196 g/mol
SMILES C=CCC(CC=C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853149