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Methyl 5-chloro-2-(2',5'-dihydroxy-4'-methoxycarbonyl-3'.6'-dimethylphenoxy)-3-formyl-4-hydroxy-6-methylbenzoate
SpectraBase Compound ID 5hZaxllaqmZ
InChI InChI=1S/C20H19ClO9/c1-7-12(20(27)29-5)18(10(6-22)16(25)13(7)21)30-17-9(3)14(23)11(19(26)28-4)8(2)15(17)24/h6,23-25H,1-5H3
InChIKey BJVLVZKSJQAHFK-UHFFFAOYSA-N
Mol Weight 438.82 g/mol
Molecular Formula C20H19ClO9
Exact Mass 438.07176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LaBPCdgAy
Name Methyl 5-chloro-2-(2',5'-dihydroxy-4'-methoxycarbonyl-3'.6'-dimethylphenoxy)-3-formyl-4-hydroxy-6-methylbenzoate
Alternate Name(s) Methyl 3-chloro-6-[2,5-dihydroxy-4-(methoxycarbonyl)-3,6-dimethylphenoxy]-5-formyl-4-hydroxy-2-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO9
InChI InChI=1S/C20H19ClO9/c1-7-12(20(27)29-5)18(10(6-22)16(25)13(7)21)30-17-9(3)14(23)11(19(26)28-4)8(2)15(17)24/h6,23-25H,1-5H3
InChIKey BJVLVZKSJQAHFK-UHFFFAOYSA-N
Molecular Weight 438.816 g/mol
SMILES Oc1c(c(c(c(Oc2c(c(c(c(c2O)C)C(=O)OC)O)C)c1C=O)C(=O)OC)C)Cl
SPLASH splash10-014r-7003900000-6b7cd3f0a4e69279ac4c
Source of Spectrum B-48-635-0
Wiley ID 1384022