For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-Hydroxy-3-methylanthraquinone, heptafluorobutyrate

View entire compound with spectra: 1 NMR

1-Hydroxy-3-methylanthraquinone, heptafluorobutyrate
SpectraBase Compound ID CnDqYajuuN6
InChI InChI=1S/C19H9F7O4/c1-8-6-11-13(15(28)10-5-3-2-4-9(10)14(11)27)12(7-8)30-16(29)17(20,21)18(22,23)19(24,25)26/h2-7H,1H3
InChIKey QAHUQPJZTQQIGO-UHFFFAOYSA-N
Mol Weight 434.27 g/mol
Molecular Formula C19H9F7O4
Exact Mass 434.038906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9eng72wVkic
Name 1-Hydroxy-3-methylanthraquinone, heptafluorobutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.038905907 u
Formula C19H9F7O4
InChI InChI=1S/C19H9F7O4/c1-8-6-11-13(15(28)10-5-3-2-4-9(10)14(11)27)12(7-8)30-16(29)17(20,21)18(22,23)19(24,25)26/h2-7H,1H3
InChIKey QAHUQPJZTQQIGO-UHFFFAOYSA-N
Molecular Weight 434.266 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C2C(=CC(=C1)C)C(=O)C=1C(C2=O)=CC=CC1