Wiley SpectraBase; SpectraBase Compound ID=1eZduMc1bu SpectraBase Spectrum ID=BudFe5HPWxA
http://spectrabase.com/spectrum/BudFe5HPWxA (accessed Oct 25, 2020).

CBZ-ALA-ALA-ALA-CH(2)-BR
SpectraBase Compound ID 1eZduMc1bu
InChI InChI=1S/C18H24BrN3O5/c1-11(15(23)9-19)20-16(24)12(2)21-17(25)13(3)22-18(26)27-10-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)(H,21,25)(H,22,26)/t11-,12-,13-/m0/s1
InChIKey XTWXCUOKGPJRNO-AVGNSLFASA-N
Mol Weight 442.31 g/mol
Molecular Formula C18H24BrN3O5
Exact Mass 441.089932 g/mol

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SpectraBase Spectrum ID BudFe5HPWxA
SpectraBase Batch ID 3WYj537gt4s
Name CBZ-ALA-ALA-ALA-CH(2)-BR
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24BrN3O5
InChI InChI=1S/C18H24BrN3O5/c1-11(15(23)9-19)20-16(24)12(2)21-17(25)13(3)22-18(26)27-10-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)(H,21,25)(H,22,26)/t11-,12-,13-/m0/s1
InChIKey XTWXCUOKGPJRNO-AVGNSLFASA-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 442.310 g/mol
Sample ID 37602
Solvent CDCl3
SpectraBase Compound ID 1eZduMc1bu