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1,5-BETA,7-ALPHA-TRIBROMODIHYDROTHEBAINONE-HYDROBROMIDE
SpectraBase Compound ID 3mPaiwUORCS
InChI InChI=1S/C18H20Br3NO3.BrH/c1-22-4-3-18-9(6-11(20)15(23)17(18)21)12(22)5-8-10(19)7-13(25-2)16(24)14(8)18;/h7,9,11-12,17,24H,3-6H2,1-2H3;1H/t9?,11-,12+,17+,18-;/m0./s1
InChIKey BFVKKINHEKQYPJ-FPMIHYAOSA-N
Mol Weight 618.99 g/mol
Molecular Formula C18H21Br4NO3
Exact Mass 614.825496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlojJeDGrYI
Name 1,5-BETA,7-ALPHA-TRIBROMODIHYDROTHEBAINONE-HYDROBROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21Br4NO3
InChI InChI=1S/C18H20Br3NO3.BrH/c1-22-4-3-18-9(6-11(20)15(23)17(18)21)12(22)5-8-10(19)7-13(25-2)16(24)14(8)18;/h7,9,11-12,17,24H,3-6H2,1-2H3;1H/t9?,11-,12+,17+,18-;/m0./s1
InChIKey BFVKKINHEKQYPJ-FPMIHYAOSA-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 618.986 g/mol
Solvent CD3COOH
Source File Reference UWCS6393