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1,5-BETA,7-ALPHA-TRIBROMO-O(4)-METHYLDIHYDROTHEBAINONE-HYDROBROMIDE
SpectraBase Compound ID 9stsCpByQI7
InChI InChI=1S/C19H22Br3NO3.BrH/c1-23-5-4-19-10(7-12(21)16(24)18(19)22)13(23)6-9-11(20)8-14(25-2)17(26-3)15(9)19;/h8,10,12-13,18H,4-7H2,1-3H3;1H/t10?,12-,13+,18+,19-;/m0./s1
InChIKey IJQHOHSDDHRTAR-DHNLNGLJSA-N
Mol Weight 633.01 g/mol
Molecular Formula C19H23Br4NO3
Exact Mass 628.841146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LX3HyxWblX0
Name 1,5-BETA,7-ALPHA-TRIBROMO-O(4)-METHYLDIHYDROTHEBAINONE-HYDROBROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23Br4NO3
InChI InChI=1S/C19H22Br3NO3.BrH/c1-23-5-4-19-10(7-12(21)16(24)18(19)22)13(23)6-9-11(20)8-14(25-2)17(26-3)15(9)19;/h8,10,12-13,18H,4-7H2,1-3H3;1H/t10?,12-,13+,18+,19-;/m0./s1
InChIKey IJQHOHSDDHRTAR-DHNLNGLJSA-N
Literature Reference Author C.OLIEMAN,L.MAAT,H.C.BEYERMAN
Literature Reference Citation REC.TR.CH.P.-B.,97,31(1978)
Literature Reference DOI 10.1002/recl.19780970202
Molecular Weight 633.013 g/mol
Solvent CD3COOH:DIOXANE-D8:H2O=45:45:10
Source File Reference UWCS6402