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COPTISINE-CHLORIDE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

COPTISINE-CHLORIDE
SpectraBase Compound ID 8qY3RLEm70P
InChI InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1
InChIKey LUXPUVKJHVUJAV-UHFFFAOYSA-M
Mol Weight 355.78 g/mol
Molecular Formula C19H14ClNO4
Exact Mass 355.061136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lUWImmjKHr
Name COPTISINE-CHLORIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14ClNO4
InChI InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1
InChIKey LUXPUVKJHVUJAV-UHFFFAOYSA-M
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 355.777 g/mol
Solvent DMSO-D6
Source File Reference UWBT16363