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1-Hydroxyanthraquinone, heptafluorobutyrate

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

1-Hydroxyanthraquinone, heptafluorobutyrate
SpectraBase Compound ID J8oNdUOTDGg
InChI InChI=1S/C18H7F7O4/c19-16(20,17(21,22)18(23,24)25)15(28)29-11-7-3-6-10-12(11)14(27)9-5-2-1-4-8(9)13(10)26/h1-7H
InChIKey QWRDXYBJQRJKRP-UHFFFAOYSA-N
Mol Weight 420.24 g/mol
Molecular Formula C18H7F7O4
Exact Mass 420.023256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8CteJMuEOaK
Name 1-Hydroxyanthraquinone, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.023255842 u
Formula C18H7F7O4
InChI InChI=1S/C18H7F7O4/c19-16(20,17(21,22)18(23,24)25)15(28)29-11-7-3-6-10-12(11)14(27)9-5-2-1-4-8(9)13(10)26/h1-7H
InChIKey QWRDXYBJQRJKRP-UHFFFAOYSA-N
Molecular Weight 420.239 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C2C(=CC=C1)C(=O)C=1C(C2=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869913