| SpectraBase Compound ID | 9l4cYCBZquX |
|---|---|
| InChI | InChI=1S/C20H28ClNO3/c1-2-3-4-5-6-7-15-25-20(24)18-9-8-14-22(18)19(23)16-10-12-17(21)13-11-16/h10-13,18H,2-9,14-15H2,1H3 |
| InChIKey | JAAOVWZYOAPJSL-UHFFFAOYSA-N |
| Mol Weight | 365.9 g/mol |
| Molecular Formula | C20H28ClNO3 |
| Exact Mass | 365.175771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKwt1kZAu5k |
|---|---|
| Name | L-Proline, N-(4-chlorobenzoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.175771463 u |
| Formula | C20H28ClNO3 |
| InChI | InChI=1S/C20H28ClNO3/c1-2-3-4-5-6-7-15-25-20(24)18-9-8-14-22(18)19(23)16-10-12-17(21)13-11-16/h10-13,18H,2-9,14-15H2,1H3 |
| InChIKey | JAAOVWZYOAPJSL-UHFFFAOYSA-N |
| Molecular Weight | 365.901 g/mol |
| SMILES | C1C(N(C(=O)C2=CC=C(C=C2)Cl)CC1)C(=O)OCCCCCCCC |