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1,3-Benzenediol, o-acryloyl-o'-heptafluorobutyryl-

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

1,3-Benzenediol, o-acryloyl-o'-heptafluorobutyryl-
SpectraBase Compound ID 1HHXNnwUPDb
InChI InChI=1S/C13H7F7O4/c1-2-9(21)23-7-4-3-5-8(6-7)24-10(22)11(14,15)12(16,17)13(18,19)20/h2-6H,1H2
InChIKey XIXUPWAHBZMMBP-UHFFFAOYSA-N
Mol Weight 360.18 g/mol
Molecular Formula C13H7F7O4
Exact Mass 360.023256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7TXhD0hkL0M
Name 1,3-Benzenediol, o-acryloyl-o'-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.023255842 u
Formula C13H7F7O4
InChI InChI=1S/C13H7F7O4/c1-2-9(21)23-7-4-3-5-8(6-7)24-10(22)11(14,15)12(16,17)13(18,19)20/h2-6H,1H2
InChIKey XIXUPWAHBZMMBP-UHFFFAOYSA-N
Molecular Weight 360.184 g/mol
SMILES C1(=CC(=CC=C1)OC(C=C)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962584