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4-Chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methyl-phenoxy)-5-methoxy-3H-isobenzofuran-1-one
SpectraBase Compound ID 8QwflWind96
InChI InChI=1S/C18H15Cl3O6/c1-7-12(19)16(24-3)14(21)17(25-4)15(7)27-9-5-10(23-2)13(20)8-6-26-18(22)11(8)9/h5H,6H2,1-4H3
InChIKey OXWGVBMJMQGGEG-UHFFFAOYSA-N
Mol Weight 433.67 g/mol
Molecular Formula C18H15Cl3O6
Exact Mass 431.993421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HzlKKMhfns
Name 4-Chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methyl-phenoxy)-5-methoxy-3H-isobenzofuran-1-one
Alternate Name(s) 4-Chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methyl-phenoxy)-5-methoxy-phthalide 4-Chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methylphenoxy)-5-methoxy-3H-2-benzofuran-1-one 7-[3,5-bis(chloranyl)-2,4-dimethoxy-6-methyl-phenoxy]-4-chloranyl-5-methoxy-3H-2-benzofuran-1-one Buellolide
CAS Registry Number 69799-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15Cl3O6
InChI InChI=1S/C18H15Cl3O6/c1-7-12(19)16(24-3)14(21)17(25-4)15(7)27-9-5-10(23-2)13(20)8-6-26-18(22)11(8)9/h5H,6H2,1-4H3
InChIKey OXWGVBMJMQGGEG-UHFFFAOYSA-N
Molecular Weight 433.671 g/mol
SMILES c1(Oc2c(C)c(c(OC)c(c2OC)Cl)Cl)c2c(c(Cl)c(c1)OC)COC2=O
SPLASH splash10-01c0-0190400000-379a16ee76fdb8f77ec3
Source of Spectrum KC-1981-852-0
Wiley ID 1382096