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2-Chloroemodic acid, o,o,o,o-tetrakis-methyl

View entire compound with spectra: 1 NMR

2-Chloroemodic acid, o,o,o,o-tetrakis-methyl
SpectraBase Compound ID JmZRoWTmHJ6
InChI InChI=1S/C19H15ClO7/c1-24-11-6-8(19(23)27-4)5-9-13(11)17(22)14-10(16(9)21)7-12(25-2)15(20)18(14)26-3/h5-7H,1-4H3
InChIKey FKIIQGWWVMVEIV-UHFFFAOYSA-N
Mol Weight 390.78 g/mol
Molecular Formula C19H15ClO7
Exact Mass 390.050631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zSQkmS1gvf
Name 2-Chloroemodic acid, o,o,o,o-tetrakis-methyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.050630516 u
Formula C19H15ClO7
InChI InChI=1S/C19H15ClO7/c1-24-11-6-8(19(23)27-4)5-9-13(11)17(22)14-10(16(9)21)7-12(25-2)15(20)18(14)26-3/h5-7H,1-4H3
InChIKey FKIIQGWWVMVEIV-UHFFFAOYSA-N
Molecular Weight 390.775 g/mol
SMILES COC(=O)C=1C=C2C(=O)C=3C(C(=O)C2=C(OC)C1)=C(OC)C(Cl)=C(OC)C3