| SpectraBase Compound ID | CUqx1URO1pb |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-3-4-5-12-23-18(21)16-10-7-11-19(16)17(20)14-8-6-9-15(13-14)22-2/h6,8-9,13,16H,3-5,7,10-12H2,1-2H3 |
| InChIKey | XJEONSJXRHMHIJ-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lH9gPi1Mxl |
|---|---|
| Name | L-Proline, N-(3-methoxybenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-3-4-5-12-23-18(21)16-10-7-11-19(16)17(20)14-8-6-9-15(13-14)22-2/h6,8-9,13,16H,3-5,7,10-12H2,1-2H3 |
| InChIKey | XJEONSJXRHMHIJ-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C1=CC(=CC(=C1)C(N1CCCC1C(=O)OCCCCC)=O)OC |