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1,8-DIBROMO-5,7-DIHYDRODIBENZO-[C.E]-OXEPINE-2,3,9,10-TETRAOL
SpectraBase Compound ID 2iNIbhuyOoH
InChI InChI=1S/C14H10Br2O5/c15-11-7-4-21-3-5-1-8(17)14(20)12(16)10(5)6(7)2-9(18)13(11)19/h1-2,17-20H,3-4H2
InChIKey ZRGSUBOWCSFYON-UHFFFAOYSA-N
Mol Weight 418.04 g/mol
Molecular Formula C14H10Br2O5
Exact Mass 415.889499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ctf2z5WUK8t
Name 1,8-Dibromo-5,7-dihydro-dibenzo[c,e]0xepine-2,3,9,10-teraol
Alternate Name(s) 4,11-dibromo-5,7-dihydrobenzo[d][2]benzoxepine-2,3,9,10-tetrol 4,11-bis(bromanyl)-5,7-dihydrobenzo[d][2]benzoxepine-2,3,9,10-tetrol
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Formula C14H10Br2O5
InChI InChI=1S/C14H10Br2O5/c15-11-7-4-21-3-5-1-8(17)14(20)12(16)10(5)6(7)2-9(18)13(11)19/h1-2,17-20H,3-4H2
InChIKey ZRGSUBOWCSFYON-UHFFFAOYSA-N
Molecular Weight 418.037 g/mol
SMILES Oc1c(c-2c(cc1O)COCc1c2cc(c(c1Br)O)O)Br
SPLASH splash10-014r-0003900000-930c4dbb3b7f2e2e32e3
Source of Spectrum G4-71-30-3
Wiley ID 1695283