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HXKFUZBVLCXSGX-VNQQYTOKSA-N
SpectraBase Compound ID 9vK2h4DdX80
InChI InChI=1S/C19H18BrNO3/c1-9-16-10(4-12(23-2)7-15(16)24-3)5-13-14-6-11(20)8-21-18(14)19(22)17(9)13/h4,6-9,13,17H,5H2,1-3H3/t9-,13+,17+/m0/s1
InChIKey HXKFUZBVLCXSGX-VNQQYTOKSA-N
Mol Weight 388.26 g/mol
Molecular Formula C19H18BrNO3
Exact Mass 387.047006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcWjIDGgCvT
Name 2-BROMO-5A-(R/S),6,11,11A-(S/R)-TETRAHYDRO-7,9-DIMETHOXY-6-(R/S)-METHYL-5H-BENZO-[5.6]-INDENO-[2,1-B]-PYRIDIN-5-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18BrNO3
InChI InChI=1S/C19H18BrNO3/c1-9-16-10(4-12(23-2)7-15(16)24-3)5-13-14-6-11(20)8-21-18(14)19(22)17(9)13/h4,6-9,13,17H,5H2,1-3H3/t9-,13+,17+/m0/s1
InChIKey HXKFUZBVLCXSGX-VNQQYTOKSA-N
Literature Reference Author J.KELLY,M.S.PUAR,A.AFONSO,A.T.M.PHAIL
Literature Reference Citation J.ORG.CHEM.,63,6039(1998)
Literature Reference DOI 10.1021/jo9803378
Molecular Weight 388.261 g/mol
Sample ID 28641
Solvent CDCl3