| SpectraBase Compound ID | 6sKLgi6hJPp |
|---|---|
| InChI | InChI=1S/C18H24ClNO3/c1-2-3-4-7-13-23-18(22)16-11-8-12-20(16)17(21)14-9-5-6-10-15(14)19/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3 |
| InChIKey | AUBBZJGGCAQZOK-UHFFFAOYSA-N |
| Mol Weight | 337.85 g/mol |
| Molecular Formula | C18H24ClNO3 |
| Exact Mass | 337.144471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T62ilrzxAo |
|---|---|
| Name | L-Proline, N-(2-chlorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.144471334 u |
| Formula | C18H24ClNO3 |
| InChI | InChI=1S/C18H24ClNO3/c1-2-3-4-7-13-23-18(22)16-11-8-12-20(16)17(21)14-9-5-6-10-15(14)19/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3 |
| InChIKey | AUBBZJGGCAQZOK-UHFFFAOYSA-N |
| Molecular Weight | 337.847 g/mol |
| SMILES | C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCC)=O)Cl |