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5,7,9A-TRIBROMO-9-HYDROXY-8-METHOXY-6-METHYL-2,3,4,4A,9,9A-HEXAHYDRO-XANTHEN-1-ONE
SpectraBase Compound ID I42l2rPeepw
InChI InChI=1S/C15H15Br3O4/c1-6-10(16)12(21-2)9-13(11(6)17)22-8-5-3-4-7(19)15(8,18)14(9)20/h8,14,20H,3-5H2,1-2H3/t8-,14+,15+/m1/s1
InChIKey HRPWSAMRWNWYSZ-YIUPMNOESA-N
Mol Weight 498.99 g/mol
Molecular Formula C15H15Br3O4
Exact Mass 495.852048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dBOZgyFaKT
Name 5,7,9A-TRIBROMO-9-HYDROXY-8-METHOXY-6-METHYL-2,3,4,4A,9,9A-HEXAHYDRO-XANTHEN-1-ONE
Compound Number 86
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15Br3O4
InChI InChI=1S/C15H15Br3O4/c1-6-10(16)12(21-2)9-13(11(6)17)22-8-5-3-4-7(19)15(8,18)14(9)20/h8,14,20H,3-5H2,1-2H3/t8-,14+,15+/m1/s1
InChIKey HRPWSAMRWNWYSZ-YIUPMNOESA-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 498.994 g/mol
Solvent CDCl3
Source File Reference UWIR19916