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CHELIRUBINE-CHLORIDE

View entire compound with spectra: 2 NMR

CHELIRUBINE-CHLORIDE
SpectraBase Compound ID HhTzTBrBTud
InChI InChI=1S/C21H16NO5.ClH/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22;/h3-8H,9-10H2,1-2H3;1H/q+1;/p-1
InChIKey METXFOLRORBRGD-UHFFFAOYSA-M
Mol Weight 397.81 g/mol
Molecular Formula C21H16ClNO5
Exact Mass 397.0717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhvTVJ0dVMY
Name CHELIRUBINE-CHLORIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16ClNO5
InChI InChI=1S/C21H16NO5.ClH/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22;/h3-8H,9-10H2,1-2H3;1H/q+1;/p-1
InChIKey METXFOLRORBRGD-UHFFFAOYSA-M
Literature Reference Author R.MAREK,J.TOUSEK,J.DOSTAL,J.SLAVIK,R.DOMMISSE,V.SKLENAR
Literature Reference Citation MAGN.RES.CHEM.,37,781(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199911)37:11<781::aid-mrc556>3.3.co;2-8
Molecular Weight 397.815 g/mol
Solvent DMSO-D6
Source File Reference UWGE5016