| SpectraBase Compound ID | 3igdMyTQK7i |
|---|---|
| InChI | InChI=1S/C19H27NO4/c1-3-4-5-8-14-24-19(22)16-11-9-13-20(16)18(21)15-10-6-7-12-17(15)23-2/h6-7,10,12,16H,3-5,8-9,11,13-14H2,1-2H3 |
| InChIKey | KDGFDASJHXNNAQ-UHFFFAOYSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C19H27NO4 |
| Exact Mass | 333.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zjrKlzmsWI |
|---|---|
| Name | L-Proline, N-(2-methoxybenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.194008349 u |
| Formula | C19H27NO4 |
| InChI | InChI=1S/C19H27NO4/c1-3-4-5-8-14-24-19(22)16-11-9-13-20(16)18(21)15-10-6-7-12-17(15)23-2/h6-7,10,12,16H,3-5,8-9,11,13-14H2,1-2H3 |
| InChIKey | KDGFDASJHXNNAQ-UHFFFAOYSA-N |
| Molecular Weight | 333.428 g/mol |
| SMILES | C(N1CCCC1C(=O)OCCCCCC)(=O)C1=C(C=CC=C1)OC |