| SpectraBase Compound ID | FZ22d1aZvK8 |
|---|---|
| InChI | InChI=1S/C19H26ClNO3/c1-2-3-4-5-8-14-24-19(23)17-12-9-13-21(17)18(22)15-10-6-7-11-16(15)20/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3 |
| InChIKey | GHNSTZXGQJSQNV-UHFFFAOYSA-N |
| Mol Weight | 351.87 g/mol |
| Molecular Formula | C19H26ClNO3 |
| Exact Mass | 351.160121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eds5Cthu0m0 |
|---|---|
| Name | L-Proline, N-(2-chlorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.160121398 u |
| Formula | C19H26ClNO3 |
| InChI | InChI=1S/C19H26ClNO3/c1-2-3-4-5-8-14-24-19(23)17-12-9-13-21(17)18(22)15-10-6-7-11-16(15)20/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3 |
| InChIKey | GHNSTZXGQJSQNV-UHFFFAOYSA-N |
| Molecular Weight | 351.874 g/mol |
| SMILES | C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCC)=O)Cl |