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N-TERT.-BUTYLOXYCARBONYL-L-THREONYL-L-LEUCINE-CHOLINE-ESTER-BROMIDE;BOC-THR-LEU-CHO
SpectraBase Compound ID 1tFSu597zfi
InChI InChI=1S/C20H39N3O6.BrH/c1-13(2)12-15(18(26)28-11-10-23(7,8)9)21-17(25)16(14(3)24)22-19(27)29-20(4,5)6;/h13-16,24H,10-12H2,1-9H3,(H-,21,22,25,27);1H
InChIKey PNWLWEBFUGAJGP-UHFFFAOYSA-N
Mol Weight 498.5 g/mol
Molecular Formula C20H40BrN3O6
Exact Mass 497.210049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fgn37V8nOQ
Name N-TERT.-BUTYLOXYCARBONYL-L-THREONYL-L-LEUCINE-CHOLINE-ESTER-BROMIDE;BOC-THR-LEU-CHO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H40BrN3O6
InChI InChI=1S/C20H39N3O6.BrH/c1-13(2)12-15(18(26)28-11-10-23(7,8)9)21-17(25)16(14(3)24)22-19(27)29-20(4,5)6;/h13-16,24H,10-12H2,1-9H3,(H-,21,22,25,27);1H
InChIKey PNWLWEBFUGAJGP-UHFFFAOYSA-N
Literature Reference Author A.COTTE,B.BADER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation CHEM.EUR.J.,5,922(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990301)5:3<922::aid-chem922>3.3.co;2-f
Molecular Weight 498.458 g/mol
Solvent CD3OD
Source File Reference UWRU9597