| SpectraBase Compound ID | FdbTxHiA4dF |
|---|---|
| InChI | InChI=1S/C20H37NO4/c1-3-5-7-8-9-13-17-25-20(23)21-15-11-10-14-18(21)19(22)24-16-12-6-4-2/h18H,3-17H2,1-2H3 |
| InChIKey | PEZOQAXCGZXSGH-UHFFFAOYSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C20H37NO4 |
| Exact Mass | 355.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKqQZke3wWN |
|---|---|
| Name | Pipecolic acid, N-octyloxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.272258671 u |
| Formula | C20H37NO4 |
| InChI | InChI=1S/C20H37NO4/c1-3-5-7-8-9-13-17-25-20(23)21-15-11-10-14-18(21)19(22)24-16-12-6-4-2/h18H,3-17H2,1-2H3 |
| InChIKey | PEZOQAXCGZXSGH-UHFFFAOYSA-N |
| Molecular Weight | 355.519 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCC)=O)C(OCCCCCCCC)=O |