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4-Hexen-1-ol, pentafluoropropionate

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

4-Hexen-1-ol, pentafluoropropionate
SpectraBase Compound ID FDdEouyRnFo
InChI InChI=1S/C9H11F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h2-3H,4-6H2,1H3/b3-2+
InChIKey GOEHKSHFBFEMTM-NSCUHMNNSA-N
Mol Weight 246.18 g/mol
Molecular Formula C9H11F5O2
Exact Mass 246.06792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LrTF81lpwz2
Name 4-Hexen-1-ol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.067920407 u
Formula C9H11F5O2
InChI InChI=1S/C9H11F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h2-3H,4-6H2,1H3/b3-2+
InChIKey GOEHKSHFBFEMTM-NSCUHMNNSA-N
Molecular Weight 246.177 g/mol
SMILES C\C=C\CCCOC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854858