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3-Bromo-6-(ethoxycarbonyl)-4,5,7-trimethoxycoumarin
SpectraBase Compound ID 26qIKGwC8VR
InChI InChI=1S/C15H15BrO7/c1-5-22-14(17)10-7(19-2)6-8-9(12(10)20-3)13(21-4)11(16)15(18)23-8/h6H,5H2,1-4H3
InChIKey XSCQSZZTNIAVHR-UHFFFAOYSA-N
Mol Weight 387.18 g/mol
Molecular Formula C15H15BrO7
Exact Mass 386.000116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1665JKAxCnm
Name 3-Bromo-6-(ethoxycarbonyl)-4,5,7-trimethoxycoumarin
Comments Less than 3 mono-isotopic peaks
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Formula C15H15BrO7
InChI InChI=1S/C15H15BrO7/c1-5-22-14(17)10-7(19-2)6-8-9(12(10)20-3)13(21-4)11(16)15(18)23-8/h6H,5H2,1-4H3
InChIKey XSCQSZZTNIAVHR-UHFFFAOYSA-N
Molecular Weight 387.182 g/mol
SMILES c12C(=C(Br)C(Oc2cc(OC)c(c1OC)C(=O)OCC)=O)OC
SPLASH splash10-000i-0009000000-3576b6fa4737bd5b3363
Source of Spectrum E1-34-75-9
Wiley ID 1710312