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Benzoic acid, 2,4-bis(acetyloxy)-3,5-dichloro-6-methyl-, 3-(acetyloxy)-4-(methoxycarbonyl)-5-methylphenyl ester
SpectraBase Compound ID ATrMYEocr8I
InChI InChI=1S/C23H20Cl2O10/c1-9-7-14(8-15(32-11(3)26)16(9)22(29)31-6)35-23(30)17-10(2)18(24)21(34-13(5)28)19(25)20(17)33-12(4)27/h7-8H,1-6H3
InChIKey FOVMRCTVXSTSIR-UHFFFAOYSA-N
Mol Weight 527.31 g/mol
Molecular Formula C23H20Cl2O10
Exact Mass 526.043352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ko3myDZSTDy
Name Benzoic acid, 2,4-bis(acetyloxy)-3,5-dichloro-6-methyl-, 3-(acetyloxy)-4-(methoxycarbonyl)-5-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 526.043352234 u
Formula C23H20Cl2O10
InChI InChI=1S/C23H20Cl2O10/c1-9-7-14(8-15(32-11(3)26)16(9)22(29)31-6)35-23(30)17-10(2)18(24)21(34-13(5)28)19(25)20(17)33-12(4)27/h7-8H,1-6H3
InChIKey FOVMRCTVXSTSIR-UHFFFAOYSA-N
Molecular Weight 527.309 g/mol
SMILES C(OC1=C(C(OC2=CC(OC(C)=O)=C(C(=C2)C)C(OC)=O)=O)C(C)=C(C(=C1Cl)OC(C)=O)Cl)(C)=O