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1,3,6-Tris[3-bromo-4-hydroxy-5-(methoxycarbonyl)phenyl]benzene
SpectraBase Compound ID AVpubKJleeN
InChI InChI=1S/C30H21Br3O9/c1-40-28(37)19-7-14(10-22(31)25(19)34)13-4-5-17(15-8-20(29(38)41-2)26(35)23(32)11-15)18(6-13)16-9-21(30(39)42-3)27(36)24(33)12-16/h4-12,34-36H,1-3H3
InChIKey YGOLMYLGLUOETG-UHFFFAOYSA-N
Mol Weight 765.2 g/mol
Molecular Formula C30H21Br3O9
Exact Mass 761.873571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Fsj1DgyGQ5
Name 1,3,6-Tris[3-bromo-4-hydroxy-5-(methoxycarbonyl)phenyl]benzene
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Formula C30H21Br3O9
InChI InChI=1S/C30H21Br3O9/c1-40-28(37)19-7-14(10-22(31)25(19)34)13-4-5-17(15-8-20(29(38)41-2)26(35)23(32)11-15)18(6-13)16-9-21(30(39)42-3)27(36)24(33)12-16/h4-12,34-36H,1-3H3
InChIKey YGOLMYLGLUOETG-UHFFFAOYSA-N
Molecular Weight 765.201 g/mol
SMILES Oc1c(cc(-c2c(ccc(-c3cc(c(c(c3)C(=O)OC)O)Br)c2)-c2cc(c(c(c2)Br)O)C(=O)OC)cc1Br)C(=O)OC
SPLASH splash10-0f8i-0009001100-38ad58384a8829d77e5f
Source of Spectrum J-58-4087-8
Synonyms Methyl 5-{2,4-bis[3-bromo-4-hydroxy-5-(methoxycarbonyl)phenyl]phenyl}-3-bromo-2-hydroxybenzoate
Wiley ID 1416544