| SpectraBase Compound ID | HieJagIg3AN |
|---|---|
| InChI | InChI=1S/C16H22N2O5/c1-3-11-23-16(21)18-10-5-7-12(18)14(19)17-9-6-8-13(17)15(20)22-4-2/h1,12-13H,4-11H2,2H3 |
| InChIKey | DSUFDVNZOPRIRH-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C16H22N2O5 |
| Exact Mass | 322.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUJTlzbyK02 |
|---|---|
| Name | D-Prolyl-D-proline, N-propargyloxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.152871811 u |
| Formula | C16H22N2O5 |
| InChI | InChI=1S/C16H22N2O5/c1-3-11-23-16(21)18-10-5-7-12(18)14(19)17-9-6-8-13(17)15(20)22-4-2/h1,12-13H,4-11H2,2H3 |
| InChIKey | DSUFDVNZOPRIRH-UHFFFAOYSA-N |
| Molecular Weight | 322.361 g/mol |
| SMILES | C1(N(CCC1)C(C1CCCN1C(OCC#C)=O)=O)C(OCC)=O |