| SpectraBase Compound ID | 1GROvEJYwxx |
|---|---|
| InChI | InChI=1S/C21H31NO3/c1-3-5-7-16-25-21(24)19-10-8-15-22(19)20(23)18-13-11-17(12-14-18)9-6-4-2/h11-14,19H,3-10,15-16H2,1-2H3 |
| InChIKey | FUVVLENERDXFRW-UHFFFAOYSA-N |
| Mol Weight | 345.48 g/mol |
| Molecular Formula | C21H31NO3 |
| Exact Mass | 345.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNkamKWMQUQ |
|---|---|
| Name | L-Proline, N-(4-butylbenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.230393859 u |
| Formula | C21H31NO3 |
| InChI | InChI=1S/C21H31NO3/c1-3-5-7-16-25-21(24)19-10-8-15-22(19)20(23)18-13-11-17(12-14-18)9-6-4-2/h11-14,19H,3-10,15-16H2,1-2H3 |
| InChIKey | FUVVLENERDXFRW-UHFFFAOYSA-N |
| Molecular Weight | 345.483 g/mol |
| SMILES | C(CC1=CC=C(C=C1)C(N1CCCC1C(=O)OCCCCC)=O)CC |