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CBZ-PHE-O-BENZYL-THR-CH(2)-BR

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CBZ-PHE-O-BENZYL-THR-CH(2)-BR
SpectraBase Compound ID 4xtJ3vEt53g
InChI InChI=1S/C29H31BrN2O5/c1-21(36-19-23-13-7-3-8-14-23)27(26(33)18-30)32-28(34)25(17-22-11-5-2-6-12-22)31-29(35)37-20-24-15-9-4-10-16-24/h2-16,21,25,27H,17-20H2,1H3,(H,31,35)(H,32,34)/t21?,25-,27+/m0/s1
InChIKey JCLONPFIHICXPY-DCRAVRKTSA-N
Mol Weight 567.48 g/mol
Molecular Formula C29H31BrN2O5
Exact Mass 566.141635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Dx25buypVC
Name CBZ-PHE-O-BENZYL-THR-CH(2)-BR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31BrN2O5
InChI InChI=1S/C29H31BrN2O5/c1-21(36-19-23-13-7-3-8-14-23)27(26(33)18-30)32-28(34)25(17-22-11-5-2-6-12-22)31-29(35)37-20-24-15-9-4-10-16-24/h2-16,21,25,27H,17-20H2,1H3,(H,31,35)(H,32,34)/t21?,25-,27+/m0/s1
InChIKey JCLONPFIHICXPY-DCRAVRKTSA-N
Literature Reference Author A.ALBECK,S.FLUSS,R.PERSKY
Literature Reference Citation J.AM.CHEM.SOC.,118,3591(1996)
Literature Reference DOI 10.1021/ja954261y
Molecular Weight 567.480 g/mol
Sample ID 37609
Solvent CDCl3