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N-ALLYLOXYCARBONYL-L-LEUCYL-L-PROLINE-CHOLINE-ESTER-BROMIDE;ALOCLEUPROOCHOBR
SpectraBase Compound ID 7z9wveUQYAm
InChI InChI=1S/C21H37N3O5.BrH/c1-8-13-29-20(27)22-17(15-16(2)3)18(25)23-11-9-10-21(23,4)19(26)28-14-12-24(5,6)7;/h8,16-17H,1,9-15H2,2-7H3;1H/t17-,21+;/m1./s1
InChIKey VTWWHKRXCWBPHX-JKSHRDEXSA-N
Mol Weight 492.5 g/mol
Molecular Formula C21H38BrN3O5
Exact Mass 491.199484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZxdysctF4M
Name N-ALLYLOXYCARBONYL-L-LEUCYL-L-PROLINE-CHOLINE-ESTER-BROMIDE;ALOCLEUPROOCHOBR
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H38BrN3O5
InChI InChI=1S/C21H37N3O5.BrH/c1-8-13-29-20(27)22-17(15-16(2)3)18(25)23-11-9-10-21(23,4)19(26)28-14-12-24(5,6)7;/h8,16-17H,1,9-15H2,2-7H3;1H/t17-,21+;/m1./s1
InChIKey VTWWHKRXCWBPHX-JKSHRDEXSA-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 492.454 g/mol
Solvent CD3OD
Source File Reference UWRU9612