| SpectraBase Compound ID | BSLqW1AHKc7 |
|---|---|
| InChI | InChI=1S/C11H18N2O5/c1-7(12-11(16)18-3)9(14)13-6-4-5-8(13)10(15)17-2/h7-8H,4-6H2,1-3H3,(H,12,16) |
| InChIKey | JDCBJWSBPHKPSA-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C11H18N2O5 |
| Exact Mass | 258.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SKjaDisgSF |
|---|---|
| Name | L-Alanyl-L-proline, N-methoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.121571683 u |
| Formula | C11H18N2O5 |
| InChI | InChI=1S/C11H18N2O5/c1-7(12-11(16)18-3)9(14)13-6-4-5-8(13)10(15)17-2/h7-8H,4-6H2,1-3H3,(H,12,16) |
| InChIKey | JDCBJWSBPHKPSA-UHFFFAOYSA-N |
| Molecular Weight | 258.274 g/mol |
| SMILES | COC(=O)C1N(C(C(NC(OC)=O)C)=O)CCC1 |