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Methyl chloroasterrate
SpectraBase Compound ID HLroxsKuFNn
InChI InChI=1S/C18H17ClO8/c1-8-5-11(13(18(23)26-4)15(21)14(8)19)27-16-10(17(22)25-3)6-9(20)7-12(16)24-2/h5-7,20-21H,1-4H3
InChIKey XSBBWBWHNNKSSM-UHFFFAOYSA-N
Mol Weight 396.78 g/mol
Molecular Formula C18H17ClO8
Exact Mass 396.061195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kjx233NWIBs
Name Methyl chloroasterrate
Alternate Name(s) 3-Chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid methyl ester Methyl 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate Methyl 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate Methyl 3-chloranyl-6-(2-methoxy-6-methoxycarbonyl-4-oxidanyl-phenoxy)-4-methyl-2-oxidanyl-benzoate
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Formula C18H17ClO8
InChI InChI=1S/C18H17ClO8/c1-8-5-11(13(18(23)26-4)15(21)14(8)19)27-16-10(17(22)25-3)6-9(20)7-12(16)24-2/h5-7,20-21H,1-4H3
InChIKey XSBBWBWHNNKSSM-UHFFFAOYSA-N
Molecular Weight 396.779 g/mol
SMILES Oc1cc(c(Oc2c(c(c(c(c2)C)Cl)O)C(=O)OC)c(c1)OC)C(=O)OC
SPLASH splash10-0904-0019000000-8f490e8dc4f5da2071af
Source of Spectrum G4-65-9-6
Wiley ID 1609378