| SpectraBase Compound ID | yCmYBXU4dW |
|---|---|
| InChI | InChI=1S/C18H29NO4/c1-3-5-6-7-8-11-15-22-17(20)16-12-9-10-13-19(16)18(21)23-14-4-2/h2,16H,3,5-15H2,1H3 |
| InChIKey | WWPCWNYGIYXGGR-UHFFFAOYSA-N |
| Mol Weight | 323.43 g/mol |
| Molecular Formula | C18H29NO4 |
| Exact Mass | 323.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3G4EtXZ2gV0 |
|---|---|
| Name | Pipecolic acid, N-propargyloxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.209658414 u |
| Formula | C18H29NO4 |
| InChI | InChI=1S/C18H29NO4/c1-3-5-6-7-8-11-15-22-17(20)16-12-9-10-13-19(16)18(21)23-14-4-2/h2,16H,3,5-15H2,1H3 |
| InChIKey | WWPCWNYGIYXGGR-UHFFFAOYSA-N |
| Molecular Weight | 323.433 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCCCCC)=O)C(OCC#C)=O |