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(+/-)-TRANS-3-BROMO-3,4-DIHYDRO-4-HYDROXY-5-METHOXY-2,2-DIMETHYL-2H,6H-PYRAN-[3,2-B]-XANTHEN-6-ONE
SpectraBase Compound ID 80Jfbo56iHi
InChI InChI=1S/C19H17BrO5/c1-19(2)18(20)16(22)14-12(25-19)8-11-13(17(14)23-3)15(21)9-6-4-5-7-10(9)24-11/h4-8,16,18,22H,1-3H3/t16-,18+/m1/s1
InChIKey QEKQZLDTBTXXBP-AEFFLSMTSA-N
Mol Weight 405.24 g/mol
Molecular Formula C19H17BrO5
Exact Mass 404.025937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiJXoh2uisO
Name (+/-)-TRANS-3-BROMO-3,4-DIHYDRO-4-HYDROXY-5-METHOXY-2,2-DIMETHYL-2H,6H-PYRAN-[3,2-B]-XANTHEN-6-ONE
Compound Number 4AA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17BrO5
InChI InChI=1S/C19H17BrO5/c1-19(2)18(20)16(22)14-12(25-19)8-11-13(17(14)23-3)15(21)9-6-4-5-7-10(9)24-11/h4-8,16,18,22H,1-3H3/t16-,18+/m1/s1
InChIKey QEKQZLDTBTXXBP-AEFFLSMTSA-N
Literature Reference Author P.MARAKOS,A.L.SKALTSOUNIS,S.LEONCE,G.ATASSI,D.H.CAIGNARD,K.G HIRTIS,N.POULI
Literature Reference Citation J.HETCYCL.CHEM.,38,147(2001)
Literature Reference DOI 10.1002/jhet.5570380121
Molecular Weight 405.245 g/mol
Solvent CDCl3
Source File Reference UWLU20961