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Methyl 5-chloro-3-formyl-4-hydroxy-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate
SpectraBase Compound ID 5yQhR4sCSNd
InChI InChI=1S/C21H21ClO9/c1-8-13(21(27)30-6)19(11(7-23)16(25)14(8)22)31-18-10(3)15(24)12(20(26)29-5)9(2)17(18)28-4/h7,24-25H,1-6H3
InChIKey VFMCUOXMCYYGMT-UHFFFAOYSA-N
Mol Weight 452.84 g/mol
Molecular Formula C21H21ClO9
Exact Mass 452.08741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAwxRvXR8vj
Name Methyl 5-chloro-3-formyl-4-hydroxy-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClO9
InChI InChI=1S/C21H21ClO9/c1-8-13(21(27)30-6)19(11(7-23)16(25)14(8)22)31-18-10(3)15(24)12(20(26)29-5)9(2)17(18)28-4/h7,24-25H,1-6H3
InChIKey VFMCUOXMCYYGMT-UHFFFAOYSA-N
Molecular Weight 452.843 g/mol
SMILES Oc1c(c(c(c(Oc2c(c(c(c(c2OC)C)C(=O)OC)O)C)c1C=O)C(=O)OC)C)Cl
SPLASH splash10-01di-9200700000-f7b304b84c7f4b46437a
Source of Spectrum B-48-635-0
Synonyms Methyl 3-chloro-5-formyl-4-hydroxy-6-[3-hydroxy-6-methoxy-4-(methoxycarbonyl)-2,5-dimethylphenoxy]-2-methylbenzoate
Wiley ID 1388176