| SpectraBase Compound ID | k3bj6wTytn |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-3-5-6-7-10-14-21-16(19)15-11-8-9-12-18(15)17(20)22-13-4-2/h15H,3-14H2,1-2H3 |
| InChIKey | GHUMQKJUBFCMHU-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 | BfwXsoDXwJO |
|---|---|
| Name | Pipecolic acid, N-propoxycarbonyl-, heptyl 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/c1-3-5-6-7-10-14-21-16(19)15-11-8-9-12-18(15)17(20)22-13-4-2/h15H,3-14H2,1-2H3 |
| InChIKey | GHUMQKJUBFCMHU-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C1CCN(C(C1)C(OCCCCCCC)=O)C(OCCC)=O |