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Naphthoresorcinol, di(pentafluoropropionate)

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

Naphthoresorcinol, di(pentafluoropropionate)
SpectraBase Compound ID FtvfCKI7KMC
InChI InChI=1S/C16H6F10O4/c17-13(18,15(21,22)23)11(27)29-8-5-7-3-1-2-4-9(7)10(6-8)30-12(28)14(19,20)16(24,25)26/h1-6H
InChIKey SUKZFPSSRNTCGV-UHFFFAOYSA-N
Mol Weight 452.2 g/mol
Molecular Formula C16H6F10O4
Exact Mass 452.01064 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B8XoMrJH7jy
Name Naphthoresorcinol, di(pentafluoropropionate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.010640299 u
Formula C16H6F10O4
InChI InChI=1S/C16H6F10O4/c17-13(18,15(21,22)23)11(27)29-8-5-7-3-1-2-4-9(7)10(6-8)30-12(28)14(19,20)16(24,25)26/h1-6H
InChIKey SUKZFPSSRNTCGV-UHFFFAOYSA-N
Molecular Weight 452.204 g/mol
SMILES C12=CC=CC=C2C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928424