| SpectraBase Compound ID | BKHeXLPhT4g |
|---|---|
| InChI | InChI=1S/C12H20N2O5/c1-3-7-19-12(18)13-8(2)10(15)14-6-4-5-9(14)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17) |
| InChIKey | MNDDPVKJJAEZKX-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C12H20N2O5 |
| Exact Mass | 272.137222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DQIxi74BrP7 |
|---|---|
| Name | ala-pro, N-(N-Propyloxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.137221747 u |
| Formula | C12H20N2O5 |
| InChI | InChI=1S/C12H20N2O5/c1-3-7-19-12(18)13-8(2)10(15)14-6-4-5-9(14)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17) |
| InChIKey | MNDDPVKJJAEZKX-UHFFFAOYSA-N |
| SMILES | C(=O)(C(NC(OCCC)=O)C)N1C(C(=O)O)CCC1 |