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1,4-Dichloro-5,8-dihydroxyanthraquinone, bis(2-methylpropionate)

View entire compound with spectra: 1 NMR

1,4-Dichloro-5,8-dihydroxyanthraquinone, bis(2-methylpropionate)
SpectraBase Compound ID 2r6MoTYLzxu
InChI InChI=1S/C22H18Cl2O6/c1-9(2)21(27)29-13-7-8-14(30-22(28)10(3)4)18-17(13)19(25)15-11(23)5-6-12(24)16(15)20(18)26/h5-10H,1-4H3
InChIKey DEMVHXRKIWRWHF-UHFFFAOYSA-N
Mol Weight 449.29 g/mol
Molecular Formula C22H18Cl2O6
Exact Mass 448.048044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Tu0fb0epk5
Name 1,4-Dichloro-5,8-dihydroxyanthraquinone, bis(2-methylpropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.048043694 u
Formula C22H18Cl2O6
InChI InChI=1S/C22H18Cl2O6/c1-9(2)21(27)29-13-7-8-14(30-22(28)10(3)4)18-17(13)19(25)15-11(23)5-6-12(24)16(15)20(18)26/h5-10H,1-4H3
InChIKey DEMVHXRKIWRWHF-UHFFFAOYSA-N
Molecular Weight 449.286 g/mol
SMILES C1(Cl)=C2C(=C(C=C1)Cl)C(=O)C=1C(C2=O)=C(C=CC1OC(C(C)C)=O)OC(C(C)C)=O