| SpectraBase Compound ID | D9H9UM43ISF |
|---|---|
| InChI | InChI=1S/C17H22ClNO3/c1-2-3-4-12-22-17(21)15-6-5-11-19(15)16(20)13-7-9-14(18)10-8-13/h7-10,15H,2-6,11-12H2,1H3 |
| InChIKey | HPOZMSPTBQFYRQ-UHFFFAOYSA-N |
| Mol Weight | 323.82 g/mol |
| Molecular Formula | C17H22ClNO3 |
| Exact Mass | 323.128821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfD0j0smcrd |
|---|---|
| Name | L-Proline, N-(4-chlorobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.128821269 u |
| Formula | C17H22ClNO3 |
| InChI | InChI=1S/C17H22ClNO3/c1-2-3-4-12-22-17(21)15-6-5-11-19(15)16(20)13-7-9-14(18)10-8-13/h7-10,15H,2-6,11-12H2,1H3 |
| InChIKey | HPOZMSPTBQFYRQ-UHFFFAOYSA-N |
| Molecular Weight | 323.820 g/mol |
| SMILES | C1C(N(C(=O)C2=CC=C(C=C2)Cl)CC1)C(=O)OCCCCC |