| SpectraBase Compound ID | JsFBtvK7DR5 |
|---|---|
| InChI | InChI=1S/C23H39NO4/c1-3-5-6-7-8-9-10-11-12-13-16-20-27-22(25)21-17-14-15-18-24(21)23(26)28-19-4-2/h2,21H,3,5-20H2,1H3 |
| InChIKey | JLGFBJMKRZOBCY-UHFFFAOYSA-N |
| Mol Weight | 393.6 g/mol |
| Molecular Formula | C23H39NO4 |
| Exact Mass | 393.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zX3fwpxwxU |
|---|---|
| Name | Pipecolic acid, N-propargyloxycarbonyl-, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.287908736 u |
| Formula | C23H39NO4 |
| InChI | InChI=1S/C23H39NO4/c1-3-5-6-7-8-9-10-11-12-13-16-20-27-22(25)21-17-14-15-18-24(21)23(26)28-19-4-2/h2,21H,3,5-20H2,1H3 |
| InChIKey | JLGFBJMKRZOBCY-UHFFFAOYSA-N |
| Molecular Weight | 393.568 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCCCCCCCCCC)=O)C(OCC#C)=O |