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(3R,4S)-7-BROMO-4-HYDROXY-8-METHOXY-3-METHYL-2,3,4,4A-TETRAHYDRO-1H-XANTHEN-1-ONE;TRANS-ISOMER
SpectraBase Compound ID 7FlnP1QNWRC
InChI InChI=1S/C15H15BrO4/c1-7-5-11(17)8-6-9-12(20-15(8)13(7)18)4-3-10(16)14(9)19-2/h3-4,6-7,13,15,18H,5H2,1-2H3/t7-,13+,15-/m1/s1
InChIKey CCFYQBAUDZMYQX-OUNZRGQNSA-N
Mol Weight 339.19 g/mol
Molecular Formula C15H15BrO4
Exact Mass 338.015372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S9g0LRdwVy
Name (3R,4S)-7-BROMO-4-HYDROXY-8-METHOXY-3-METHYL-2,3,4,4A-TETRAHYDRO-1H-XANTHEN-1-ONE;TRANS-ISOMER
Compound Number 77
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15BrO4
InChI InChI=1S/C15H15BrO4/c1-7-5-11(17)8-6-9-12(20-15(8)13(7)18)4-3-10(16)14(9)19-2/h3-4,6-7,13,15,18H,5H2,1-2H3/t7-,13+,15-/m1/s1
InChIKey CCFYQBAUDZMYQX-OUNZRGQNSA-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 339.186 g/mol
Solvent CDCl3
Source File Reference UWIR19911