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Dimethyl 9-bromo-6-(bromomethyl)-8-methoxy-1,10-dimethylheptalene-4,5-dicarboxylate
SpectraBase Compound ID 9Ar2J1qnj6o
InChI InChI=1S/C20H20Br2O5/c1-10-6-7-13(19(23)26-4)17(20(24)27-5)16-12(9-21)8-14(25-3)18(22)11(2)15(10)16/h6-8H,9H2,1-5H3
InChIKey CFWVDPRJJGZYBD-UHFFFAOYSA-N
Mol Weight 500.18 g/mol
Molecular Formula C20H20Br2O5
Exact Mass 497.96775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xAwdKIuXUY
Name Dimethyl 9-bromo-6-(bromomethyl)-8-methoxy-1,10-dimethylheptalene-4,5-dicarboxylate
Alternate Name(s) Dimethyl 7-bromo-10-(bromomethyl)-8-methoxy-5,6-dimethylheptalene-1,2-dicarboxylate
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Formula C20H20Br2O5
InChI InChI=1S/C20H20Br2O5/c1-10-6-7-13(19(23)26-4)17(20(24)27-5)16-12(9-21)8-14(25-3)18(22)11(2)15(10)16/h6-8H,9H2,1-5H3
InChIKey CFWVDPRJJGZYBD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100150
Molecular Weight 500.183 g/mol
SMILES C1(=C2C(=C(C(=CC(=C2C(=C(C(=O)OC)C=C1)C(=O)OC)CBr)OC)Br)C)C
SPLASH splash10-052f-4759210000-e24887495bd7fa4a5e43
Source of Spectrum H-94-1209-12
Wiley ID 1786086