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ethyl 4-(3'-chloro-6'-hydroxy-2'-methoxybenzoyloxy)-6-hydroxy-3-methoxy-2-methylbenzoate
SpectraBase Compound ID 7tfRT7Qnf1Q
InChI InChI=1S/C19H19ClO8/c1-5-27-18(23)14-9(2)16(25-3)13(8-12(14)22)28-19(24)15-11(21)7-6-10(20)17(15)26-4/h6-8,21-22H,5H2,1-4H3
InChIKey CNGWZTJGZBSNNZ-UHFFFAOYSA-N
Mol Weight 410.81 g/mol
Molecular Formula C19H19ClO8
Exact Mass 410.076845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GffQ0EcHVCz
Name ethyl 4-(3'-chloro-6'-hydroxy-2'-methoxybenzoyloxy)-6-hydroxy-3-methoxy-2-methylbenzoate
Alternate Name(s) ethyl 4-[(3-chloro-6-hydroxy-2-methoxybenzoyl)oxy]-6-hydroxy-3-methoxy-2-methylbenzoate 4-[(3-chloro-6-hydroxy-2-methoxyphenyl)-oxomethoxy]-6-hydroxy-3-methoxy-2-methylbenzoic acid ethyl ester ethyl 4-(3-chloro-6-hydroxy-2-methoxybenzoyl)oxy-6-hydroxy-3-methoxy-2-methylbenzoate ethyl 4-(3-chloro-6-hydroxy-2-methoxy-benzoyl)oxy-6-hydroxy-3-methoxy-2-methyl-benzoate ethyl 4-(3-chloranyl-2-methoxy-6-oxidanyl-phenyl)carbonyloxy-3-methoxy-2-methyl-6-oxidanyl-benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H19ClO8
InChI InChI=1S/C19H19ClO8/c1-5-27-18(23)14-9(2)16(25-3)13(8-12(14)22)28-19(24)15-11(21)7-6-10(20)17(15)26-4/h6-8,21-22H,5H2,1-4H3
InChIKey CNGWZTJGZBSNNZ-UHFFFAOYSA-N
Molecular Weight 410.806 g/mol
SMILES Oc1cc(OC(c2c(ccc(c2OC)Cl)O)=O)c(c(c1C(=O)OCC)C)OC
SPLASH splash10-001i-0900000000-78523c30223bde93112a
Source of Spectrum B-46-95-0
Wiley ID 1373527