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8-(1,2,4-TRIAZOL-1-YL)-7,8-DIHYDROBERBERINE

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8-(1,2,4-TRIAZOL-1-YL)-7,8-DIHYDROBERBERINE
SpectraBase Compound ID GTO56tBiPJK
InChI InChI=1S/C22H20N4O4/c1-27-17-4-3-14-7-16-15-9-19-18(29-12-30-19)8-13(15)5-6-25(16)22(20(14)21(17)28-2)26-11-23-10-24-26/h3-4,7-11,22H,5-6,12H2,1-2H3
InChIKey XHVGMIQFQVBABI-UHFFFAOYSA-N
Mol Weight 404.43 g/mol
Molecular Formula C22H20N4O4
Exact Mass 404.148455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAXnOdIxx3x
Name 8-(1,2,4-TRIAZOL-1-YL)-7,8-DIHYDROBERBERINE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N4O4
InChI InChI=1S/C22H20N4O4/c1-27-17-4-3-14-7-16-15-9-19-18(29-12-30-19)8-13(15)5-6-25(16)22(20(14)21(17)28-2)26-11-23-10-24-26/h3-4,7-11,22H,5-6,12H2,1-2H3
InChIKey XHVGMIQFQVBABI-UHFFFAOYSA-N
Literature Reference Author L.GRYCOVA,D.HULOVA,L.MAIER,S.STANDARA,M.NECAS,F.LEMIERE,R.KA RES,J.DOSTAL,R.MAREK
Literature Reference Citation MAGN.RES.CHEM.,46,1127(2008)
Literature Reference DOI 10.1002/mrc.2325
Molecular Weight 404.425 g/mol
Solvent CD2Cl2
Source File Reference UWBT16356