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5-Hexen-1-ol, heptafluorobutyrate

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

5-Hexen-1-ol, heptafluorobutyrate
SpectraBase Compound ID 1R2dWKWCr54
InChI InChI=1S/C10H11F7O2/c1-2-3-4-5-6-19-7(18)8(11,12)9(13,14)10(15,16)17/h2H,1,3-6H2
InChIKey QNLAGUOCYODSMS-UHFFFAOYSA-N
Mol Weight 296.18 g/mol
Molecular Formula C10H11F7O2
Exact Mass 296.064727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EBnPUBYQ5DB
Name 5-Hexen-1-ol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.064726733 u
Formula C10H11F7O2
InChI InChI=1S/C10H11F7O2/c1-2-3-4-5-6-19-7(18)8(11,12)9(13,14)10(15,16)17/h2H,1,3-6H2
InChIKey QNLAGUOCYODSMS-UHFFFAOYSA-N
Molecular Weight 296.185 g/mol
SMILES C=CCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930671