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1,7-ALPHA-DIBROMODIHYDROTHEBAINONE-HYDROBROMIDE

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1,7-ALPHA-DIBROMODIHYDROTHEBAINONE-HYDROBROMIDE
SpectraBase Compound ID 3QFbOe0WEMp
InChI InChI=1S/C18H21Br2NO3.BrH/c1-21-4-3-18-8-14(22)12(20)6-10(18)13(21)5-9-11(19)7-15(24-2)17(23)16(9)18;/h7,10,12-13,23H,3-6,8H2,1-2H3;1H/t10?,12-,13+,18-;/m0./s1
InChIKey XAKFSFLICCWHNB-RAGGRQTGSA-N
Mol Weight 540.09 g/mol
Molecular Formula C18H22Br3NO3
Exact Mass 536.914983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdASHOoyrcg
Name 1,7-ALPHA-DIBROMODIHYDROTHEBAINONE-HYDROBROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22Br3NO3
InChI InChI=1S/C18H21Br2NO3.BrH/c1-21-4-3-18-8-14(22)12(20)6-10(18)13(21)5-9-11(19)7-15(24-2)17(23)16(9)18;/h7,10,12-13,23H,3-6,8H2,1-2H3;1H/t10?,12-,13+,18-;/m0./s1
InChIKey XAKFSFLICCWHNB-RAGGRQTGSA-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 540.090 g/mol
Solvent CD3COOH
Source File Reference UWCS6392