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TRANS-1-HYDROXY-2-BROMO-1,2-DIHYDROACRONYCINE
SpectraBase Compound ID BtcNDbks2MI
InChI InChI=1S/C20H20BrNO4/c1-20(2)19(21)18(24)15-13(26-20)9-12(25-4)14-16(15)22(3)11-8-6-5-7-10(11)17(14)23/h5-9,18-19,24H,1-4H3/t18-,19+/m0/s1
InChIKey FVYWXZUIVNWJFN-RBUKOAKNSA-N
Mol Weight 418.29 g/mol
Molecular Formula C20H20BrNO4
Exact Mass 417.057571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6LI9AcToZA
Name TRANS-1-HYDROXY-2-BROMO-1,2-DIHYDROACRONYCINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20BrNO4
InChI InChI=1S/C20H20BrNO4/c1-20(2)19(21)18(24)15-13(26-20)9-12(25-4)14-16(15)22(3)11-8-6-5-7-10(11)17(14)23/h5-9,18-19,24H,1-4H3/t18-,19+/m0/s1
InChIKey FVYWXZUIVNWJFN-RBUKOAKNSA-N
Literature Reference Author E.MIKROS,S.MITAKU,A.L.SKALTSOUNIS,F.LIBOT,F.TILLEQUIN,M.KOCH
Literature Reference Citation MAGN.RES.CHEM.,37,498(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199907)37:7<498::aid-mrc490>3.3.co;2-g
Molecular Weight 418.287 g/mol
Solvent CD3OD:CDCl3
Source File Reference UWRU4008