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N-ALLYLOXYCARBONYL-L-METHIONYL-GLYGINE-CHOLINE-ESTER-BROMIDE;ALOCMETGLYOCHOBR
SpectraBase Compound ID 61spgFmDeHJ
InChI InChI=1S/C16H29N3O5S.BrH/c1-6-9-24-16(22)18-13(7-11-25-5)15(21)17-12-14(20)23-10-8-19(2,3)4;/h6,13H,1,7-12H2,2-5H3,(H-,17,18,21,22);1H/t13-;/m0./s1
InChIKey NUEWEBSEQRVRQJ-ZOWNYOTGSA-N
Mol Weight 456.4 g/mol
Molecular Formula C16H30BrN3O5S
Exact Mass 455.108955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ls80F7yXeYA
Name N-ALLYLOXYCARBONYL-L-METHIONYL-GLYGINE-CHOLINE-ESTER-BROMIDE;ALOCMETGLYOCHOBR
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H30BrN3O5S
InChI InChI=1S/C16H29N3O5S.BrH/c1-6-9-24-16(22)18-13(7-11-25-5)15(21)17-12-14(20)23-10-8-19(2,3)4;/h6,13H,1,7-12H2,2-5H3,(H-,17,18,21,22);1H/t13-;/m0./s1
InChIKey NUEWEBSEQRVRQJ-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 456.395 g/mol
Solvent CD3OD
Source File Reference UWRU9625