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2-Chloro-1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione, 4me derivative

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2-Chloro-1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione, 4me derivative
SpectraBase Compound ID BvScLkJQbN6
InChI InChI=1S/C21H21ClO6/c1-10(25-2)6-11-7-12-16(14(8-11)26-3)20(24)17-13(19(12)23)9-15(27-4)18(22)21(17)28-5/h7-10H,6H2,1-5H3
InChIKey ODDVMBDYOJKYIC-UHFFFAOYSA-N
Mol Weight 404.85 g/mol
Molecular Formula C21H21ClO6
Exact Mass 404.102666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID glipNDqF0g
Name 2-Chloro-1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione, 4me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.102666090 u
Formula C21H21ClO6
InChI InChI=1S/C21H21ClO6/c1-10(25-2)6-11-7-12-16(14(8-11)26-3)20(24)17-13(19(12)23)9-15(27-4)18(22)21(17)28-5/h7-10H,6H2,1-5H3
InChIKey ODDVMBDYOJKYIC-UHFFFAOYSA-N
Molecular Weight 404.846 g/mol
SMILES C1(Cl)=C(OC)C=C2C(=O)C3=C(C(=O)C2=C1OC)C(OC)=CC(CC(OC)C)=C3