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17-CARBOXYL-12-METHOXY-N-(4)-METHYLECHITAMIDINE_CHLORIDE

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17-CARBOXYL-12-METHOXY-N-(4)-METHYLECHITAMIDINE_CHLORIDE
SpectraBase Compound ID 5T4qZcegydS
InChI InChI=1S/C21H26N2O4.ClH/c1-11(24)13-10-23(2)8-7-21-14-5-4-6-15(27-3)18(14)22-19(21)17(20(25)26)12(13)9-16(21)23;/h4-6,11-13,16,22,24H,7-10H2,1-3H3;1H/t11-,12+,13+,16+,21-,23?;/m1./s1
InChIKey QQYRWBZJHPSHJZ-WQAULOEQSA-N
Mol Weight 406.91 g/mol
Molecular Formula C21H27ClN2O4
Exact Mass 406.165935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YvWYnXdZVx
Name 17-CARBOXYL-12-METHOXY-N-(4)-METHYLECHITAMIDINE_CHLORIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27ClN2O4
InChI InChI=1S/C21H26N2O4.ClH/c1-11(24)13-10-23(2)8-7-21-14-5-4-6-15(27-3)18(14)22-19(21)17(20(25)26)12(13)9-16(21)23;/h4-6,11-13,16,22,24H,7-10H2,1-3H3;1H/t11-,12+,13+,16+,21-,23?;/m1./s1
InChIKey QQYRWBZJHPSHJZ-WQAULOEQSA-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 406.909 g/mol
Solvent D2O
Source File Reference UWMZ16448