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N-TERT.-BUTYLOXYCARBONYL-L-METHIONYL-GLYCINE-CHOLINE-ESTER-BROMIDE;BOCMETGLYOCHOBR
SpectraBase Compound ID IP3tTWmAxGk
InChI InChI=1S/C17H33N3O5S.BrH/c1-17(2,3)25-16(23)19-13(8-11-26-7)15(22)18-12-14(21)24-10-9-20(4,5)6;/h13H,8-12H2,1-7H3,(H-,18,19,22,23);1H/t13-;/m0./s1
InChIKey XDQCUFGBYQHTFL-ZOWNYOTGSA-N
Mol Weight 472.4 g/mol
Molecular Formula C17H34BrN3O5S
Exact Mass 471.140255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpfDaoVM6NZ
Name N-TERT.-BUTYLOXYCARBONYL-L-METHIONYL-GLYCINE-CHOLINE-ESTER-BROMIDE;BOCMETGLYOCHOBR
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H34BrN3O5S
InChI InChI=1S/C17H33N3O5S.BrH/c1-17(2,3)25-16(23)19-13(8-11-26-7)15(22)18-12-14(21)24-10-9-20(4,5)6;/h13H,8-12H2,1-7H3,(H-,18,19,22,23);1H/t13-;/m0./s1
InChIKey XDQCUFGBYQHTFL-ZOWNYOTGSA-N
Literature Reference Author M.SCHELHAAS,E.NAEGELE,N.KUDER,B.BADER,J.KUHLMANN,A.WITTINGHO FER,H.WALDMANN
Literature Reference Citation CHEM.EUR.J.,5,1239(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990401)5:4<1239::aid-chem1239>3.3.co;2-e
Molecular Weight 472.438 g/mol
Solvent CD3OD
Source File Reference UWRU9619