| SpectraBase Compound ID | 9pdFncF9yBb |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-3-5-7-10-14-22-17(20)18-12-9-8-11-15(18)16(19)21-13-6-4-2/h15H,3-14H2,1-2H3 |
| InChIKey | TZTAJNUZWAZDQQ-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZmLYksZcVt |
|---|---|
| Name | Pipecolic acid, N-hexyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.225308478 u |
| Formula | C17H31NO4 |
| InChI | InChI=1S/C17H31NO4/c1-3-5-7-10-14-22-17(20)18-12-9-8-11-15(18)16(19)21-13-6-4-2/h15H,3-14H2,1-2H3 |
| InChIKey | TZTAJNUZWAZDQQ-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCC)=O)C(OCCCCCC)=O |