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CHELIRUBINE-CHLORIDE
SpectraBase Compound ID FqTQHz7R3o0
InChI InChI=1S/C21H17NO5.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;/h3-7H,8-10H2,1-2H3;1H
InChIKey OQVXUIVNJYFASX-UHFFFAOYSA-N
Mol Weight 399.83 g/mol
Molecular Formula C21H18ClNO5
Exact Mass 399.08735 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQS86LlFNeQ
Name CHELIRUBINE-CHLORIDE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClNO5
InChI InChI=1S/C21H17NO5.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;/h3-7H,8-10H2,1-2H3;1H
InChIKey OQVXUIVNJYFASX-UHFFFAOYSA-N
Literature Reference Author R.MADEK,O.HUMPA,J.DOSTAL,J.SLAVIK,V.SKLENAR
Literature Reference Citation MAGN.RES.CHEM.,37,195(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199903)37:3<195::aid-mrc435>3.3.co;2-4
Solvent DMSO-D6
Source File Reference UWSI9065