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4-Heptafluorobutyryloxy-4-phenylbut-1-ene

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

4-Heptafluorobutyryloxy-4-phenylbut-1-ene
SpectraBase Compound ID E5pXAfE9bMx
InChI InChI=1S/C14H11F7O2/c1-2-6-10(9-7-4-3-5-8-9)23-11(22)12(15,16)13(17,18)14(19,20)21/h2-5,7-8,10H,1,6H2
InChIKey NWACBJJJLQCIAK-UHFFFAOYSA-N
Mol Weight 344.23 g/mol
Molecular Formula C14H11F7O2
Exact Mass 344.064727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5XPDMKpavxQ
Name 4-Heptafluorobutyryloxy-4-phenylbut-1-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.064726733 u
Formula C14H11F7O2
InChI InChI=1S/C14H11F7O2/c1-2-6-10(9-7-4-3-5-8-9)23-11(22)12(15,16)13(17,18)14(19,20)21/h2-5,7-8,10H,1,6H2
InChIKey NWACBJJJLQCIAK-UHFFFAOYSA-N
Molecular Weight 344.229 g/mol
SMILES C(CC=C)(C1=CC=CC=C1)OC(=O)C(C(F)(C(F)(F)F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926729