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9-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
SpectraBase Compound ID BpE6onxnp1f
InChI InChI=1S/C21H21BrO5/c1-2-26-17-10-11(9-12(22)21(17)25)18-19-13(23)5-3-7-15(19)27-16-8-4-6-14(24)20(16)18/h9-10,18,25H,2-8H2,1H3
InChIKey DRNDYUYDKDCSTN-UHFFFAOYSA-N
Mol Weight 433.3 g/mol
Molecular Formula C21H21BrO5
Exact Mass 432.057237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AClcIrLrx5V
Name 9-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Alternate Name(s) 9-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone 9-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
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Formula C21H21BrO5
InChI InChI=1S/C21H21BrO5/c1-2-26-17-10-11(9-12(22)21(17)25)18-19-13(23)5-3-7-15(19)27-16-8-4-6-14(24)20(16)18/h9-10,18,25H,2-8H2,1H3
InChIKey DRNDYUYDKDCSTN-UHFFFAOYSA-N
Molecular Weight 433.298 g/mol
SMILES Oc1c(cc(C2C=3C(=O)CCCC3OC3=C2C(=O)CCC3)cc1Br)OCC
SPLASH splash10-0gc0-6796500000-f17b2fcc0beec88fb535
Wiley ID 1461184