| SpectraBase Compound ID | 2tvrIPR4ne7 |
|---|---|
| InChI | InChI=1S/C21H31NO3/c1-3-4-5-6-7-8-15-25-21(24)19-13-10-14-22(19)20(23)18-12-9-11-17(2)16-18/h9,11-12,16,19H,3-8,10,13-15H2,1-2H3 |
| InChIKey | FBYACADBIOUKIO-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 | IwGizrprZTi |
|---|---|
| Name | L-Proline, N-(3-methylbenzoyl)-, octyl 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/c1-3-4-5-6-7-8-15-25-21(24)19-13-10-14-22(19)20(23)18-12-9-11-17(2)16-18/h9,11-12,16,19H,3-8,10,13-15H2,1-2H3 |
| InChIKey | FBYACADBIOUKIO-UHFFFAOYSA-N |
| Molecular Weight | 345.483 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCCCCCC)=O)C |