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Anthralin, o,o',o''-tri(trifluoroacetyl)-

View entire compound with spectra: 1 NMR

Anthralin, o,o',o''-tri(trifluoroacetyl)-
SpectraBase Compound ID Jtr2mlBUirA
InChI InChI=1S/C20H7F9O6/c21-18(22,23)15(30)33-10-5-1-3-8-7-9-4-2-6-11(34-16(31)19(24,25)26)13(9)14(12(8)10)35-17(32)20(27,28)29/h1-7H
InChIKey CEUXARQAGXSIAX-UHFFFAOYSA-N
Mol Weight 514.26 g/mol
Molecular Formula C20H7F9O6
Exact Mass 514.009891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4svsgiBa6Oh
Name Anthralin, o,o',o''-tri(trifluoroacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.009891406 u
Formula C20H7F9O6
InChI InChI=1S/C20H7F9O6/c21-18(22,23)15(30)33-10-5-1-3-8-7-9-4-2-6-11(34-16(31)19(24,25)26)13(9)14(12(8)10)35-17(32)20(27,28)29/h1-7H
InChIKey CEUXARQAGXSIAX-UHFFFAOYSA-N
Molecular Weight 514.256 g/mol
SMILES C1=CC=C2C(=C1OC(C(F)(F)F)=O)C(=C1C(=CC=CC1=C2)OC(C(F)(F)F)=O)OC(=O)C(F)(F)F