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SANGUIRUBINE-CHLORIDE

View entire compound with spectra: 1 NMR

SANGUIRUBINE-CHLORIDE
SpectraBase Compound ID AIZwQwrTrxr
InChI InChI=1S/C22H20NO5.ClH/c1-23-10-15-20(18(26-4)9-19-22(15)28-11-27-19)13-6-5-12-7-16(24-2)17(25-3)8-14(12)21(13)23;/h5-10H,11H2,1-4H3;1H/q+1;/p-1
InChIKey DXYAIKKJPUTMHP-UHFFFAOYSA-M
Mol Weight 413.86 g/mol
Molecular Formula C22H20ClNO5
Exact Mass 413.103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XhO5EWlT89
Name SANGUIRUBINE-CHLORIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20ClNO5
InChI InChI=1S/C22H20NO5.ClH/c1-23-10-15-20(18(26-4)9-19-22(15)28-11-27-19)13-6-5-12-7-16(24-2)17(25-3)8-14(12)21(13)23;/h5-10H,11H2,1-4H3;1H/q+1;/p-1
InChIKey DXYAIKKJPUTMHP-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 413.858 g/mol
Solvent DMSO-D6
Source File Reference UWGE5018