| 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 | 441.089934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BudFe5HPWxA |
|---|---|
| Name | CBZ-ALA-ALA-ALA-CH(2)-BR |
| Copyright | Copyright © 2016-2024 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 |