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5-BETA,7-ALPHA-DIBROMO-1-METHYLDIHYDROTHEBAINONE-HYDROBROMIDE
SpectraBase Compound ID DBujHDbqCZp
InChI InChI=1S/C19H23Br2NO3.BrH/c1-9-6-14(25-3)17(24)15-10(9)7-13-11-8-12(20)16(23)18(21)19(11,15)4-5-22(13)2;/h6,11-13,18,24H,4-5,7-8H2,1-3H3;1H/t11?,12-,13+,18+,19-;/m0./s1
InChIKey CDXWAECJJWOAOM-XQPKGCBSSA-N
Mol Weight 554.12 g/mol
Molecular Formula C19H24Br3NO3
Exact Mass 550.930633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Htt8Fv9M3U
Name 5-BETA,7-ALPHA-DIBROMO-1-METHYLDIHYDROTHEBAINONE-HYDROBROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H24Br3NO3
InChI InChI=1S/C19H23Br2NO3.BrH/c1-9-6-14(25-3)17(24)15-10(9)7-13-11-8-12(20)16(23)18(21)19(11,15)4-5-22(13)2;/h6,11-13,18,24H,4-5,7-8H2,1-3H3;1H/t11?,12-,13+,18+,19-;/m0./s1
InChIKey CDXWAECJJWOAOM-XQPKGCBSSA-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 554.116 g/mol
Solvent CD3COOH
Source File Reference UWCS6398