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17-CARBOXYL-N-(4)-METHYLECHITAMIDINE_CHLORIDE

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17-CARBOXYL-N-(4)-METHYLECHITAMIDINE_CHLORIDE
SpectraBase Compound ID LsVbo2kEttz
InChI InChI=1S/C20H24N2O3.ClH/c1-11(23)13-10-22(2)8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25)12(13)9-16(20)22;/h3-6,11-13,16,21,23H,7-10H2,1-2H3;1H/t11-,12+,13+,16+,20-,22?;/m1./s1
InChIKey QVWGOSIDDNCZFU-OECAGBKTSA-N
Mol Weight 376.88 g/mol
Molecular Formula C20H25ClN2O3
Exact Mass 376.15537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eabpOUpO6b
Name 17-CARBOXYL-N-(4)-METHYLECHITAMIDINE_CHLORIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25ClN2O3
InChI InChI=1S/C20H24N2O3.ClH/c1-11(23)13-10-22(2)8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25)12(13)9-16(20)22;/h3-6,11-13,16,21,23H,7-10H2,1-2H3;1H/t11-,12+,13+,16+,20-,22?;/m1./s1
InChIKey QVWGOSIDDNCZFU-OECAGBKTSA-N
Literature Reference Author L.S.GAN,S.P.YANG,Y.WU,J.DING,J.M.YUE
Literature Reference Citation J.NAT.PROD.,69,18(2006)
Literature Reference DOI 10.1021/np0502701
Molecular Weight 376.883 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16447