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N-(4)-CHLOROMETHYLTUBOTAIWINE_CHLORIDE
SpectraBase Compound ID L7s66sJKLwX
InChI InChI=1S/C21H25ClN2O2.ClH/c1-3-13-14-8-10-24(12-22)11-9-21(19(13)24)15-6-4-5-7-16(15)23-18(21)17(14)20(25)26-2;/h4-7,13-14,19H,3,8-12H2,1-2H3;1H/t13-,14+,19-,21-,24?;/m1./s1
InChIKey YTQOPJVCTCNQIS-GKFJHVHVSA-N
Mol Weight 409.36 g/mol
Molecular Formula C21H26Cl2N2O2
Exact Mass 408.137133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uPBRoIgb0Q
Name N-(4)-CHLOROMETHYLTUBOTAIWINE_CHLORIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26Cl2N2O2
InChI InChI=1S/C21H25ClN2O2.ClH/c1-3-13-14-8-10-24(12-22)11-9-21(19(13)24)15-6-4-5-7-16(15)23-18(21)17(14)20(25)26-2;/h4-7,13-14,19H,3,8-12H2,1-2H3;1H/t13-,14+,19-,21-,24?;/m1./s1
InChIKey YTQOPJVCTCNQIS-GKFJHVHVSA-N
Literature Reference Author C.Y.GAN,Y.Y.LOW,N.F.THOMAS,T.S.KAM
Literature Reference Citation J.NAT.PROD.,76,957(2013)
Literature Reference DOI 10.1021/np400214y
Molecular Weight 409.356 g/mol
Sample ID 42540
Solvent CDCl3