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5,9A-DIBROMO-9-HYDROXY-8-METHOXY-2,3,4,4A,9,9A-HEXAHYDRO-XANTHEN-1-ONE
SpectraBase Compound ID KOidrZ5DcV7
InChI InChI=1S/C14H14Br2O4/c1-19-8-6-5-7(15)12-11(8)13(18)14(16)9(17)3-2-4-10(14)20-12/h5-6,10,13,18H,2-4H2,1H3/t10-,13+,14+/m1/s1
InChIKey WACDHDGNWBRDHG-SWHYSGLUSA-N
Mol Weight 406.07 g/mol
Molecular Formula C14H14Br2O4
Exact Mass 403.925885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQiUtdYntr1
Name 5,9A-DIBROMO-9-HYDROXY-8-METHOXY-2,3,4,4A,9,9A-HEXAHYDRO-XANTHEN-1-ONE
Compound Number 85
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14Br2O4
InChI InChI=1S/C14H14Br2O4/c1-19-8-6-5-7(15)12-11(8)13(18)14(16)9(17)3-2-4-10(14)20-12/h5-6,10,13,18H,2-4H2,1H3/t10-,13+,14+/m1/s1
InChIKey WACDHDGNWBRDHG-SWHYSGLUSA-N
Literature Reference Author A.C.MEISTER,A.ENCINAS,H.SAHIN,E.M.C.SINGER,C.F.NISING,M.NIEG ER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,4861(2014)
Literature Reference DOI 10.1002/ejoc.201402083
Molecular Weight 406.071 g/mol
Solvent CDCl3
Source File Reference UWIR19915