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1-Heptafluorobutyryloxy-2-phenylethane

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

1-Heptafluorobutyryloxy-2-phenylethane
SpectraBase Compound ID AHTI10kDzMR
InChI InChI=1S/C12H9F7O2/c13-10(14,11(15,16)12(17,18)19)9(20)21-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey HUHVUDFNUXMVGY-UHFFFAOYSA-N
Mol Weight 318.19 g/mol
Molecular Formula C12H9F7O2
Exact Mass 318.049077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1FgP8NMCFZa
Name 1-Heptafluorobutyryloxy-2-phenylethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.049076669 u
Formula C12H9F7O2
InChI InChI=1S/C12H9F7O2/c13-10(14,11(15,16)12(17,18)19)9(20)21-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey HUHVUDFNUXMVGY-UHFFFAOYSA-N
Molecular Weight 318.191 g/mol
SMILES C(COC(C(F)(C(C(F)(F)F)(F)F)F)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956084