| SpectraBase Compound ID | KjxIaKIvqid |
|---|---|
| InChI | InChI=1S/C17H20N2O5/c1-3-11-23-16(21)14-8-6-9-18(14)15(20)13-7-5-10-19(13)17(22)24-12-4-2/h1-2,13-14H,5-12H2 |
| InChIKey | SMJNNKDSNMVFAE-UHFFFAOYSA-N |
| Mol Weight | 332.36 g/mol |
| Molecular Formula | C17H20N2O5 |
| Exact Mass | 332.137222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EKYxykrGufg |
|---|---|
| Name | D-Prolyl-D-proline, N-propargyloxycarbonyl-, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.137221747 u |
| Formula | C17H20N2O5 |
| InChI | InChI=1S/C17H20N2O5/c1-3-11-23-16(21)14-8-6-9-18(14)15(20)13-7-5-10-19(13)17(22)24-12-4-2/h1-2,13-14H,5-12H2 |
| InChIKey | SMJNNKDSNMVFAE-UHFFFAOYSA-N |
| Molecular Weight | 332.356 g/mol |
| SMILES | C1CN(C(=O)C2N(CCC2)C(OCC#C)=O)C(C1)C(=O)OCC#C |