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L-METHIONYL-GLYCINE-CHOLINE-ESTER-BROMIDE-HYDROBROMIDE;HMETGLYOCHOBR*HBR
SpectraBase Compound ID 5L71edCN4BZ
InChI InChI=1S/C12H25N3O3S.2BrH/c1-15(2,3)6-7-18-11(16)9-14-12(17)10(13)5-8-19-4;;/h10H,5-9,13H2,1-4H3;2*1H/t10-;;/m0../s1
InChIKey QVGBWGRRLRRMFR-XRIOVQLTSA-N
Mol Weight 453.234 g/mol
Molecular Formula C12H27Br2N3O3S
Exact Mass 451.013989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJS5BTgr1dA
Name L-METHIONYL-GLYCINE-CHOLINE-ESTER-BROMIDE-HYDROBROMIDE;HMETGLYOCHOBR*HBR
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H27Br2N3O3S
InChI InChI=1S/C12H25N3O3S.2BrH/c1-15(2,3)6-7-18-11(16)9-14-12(17)10(13)5-8-19-4;;/h10H,5-9,13H2,1-4H3;2*1H/t10-;;/m0../s1
InChIKey QVGBWGRRLRRMFR-XRIOVQLTSA-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 453.233 g/mol
Solvent CD3OD
Source File Reference UWRU9620