| SpectraBase Compound ID | DnwFAIR1jEO |
|---|---|
| InChI | InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-11-16-24-19(22)14-15-21-20(23)18-13-10-9-12-17(18)2/h9-10,12-13H,3-8,11,14-16H2,1-2H3,(H,21,23) |
| InChIKey | WNZPMDDHPDWGBL-UHFFFAOYSA-N |
| Mol Weight | 333.47 g/mol |
| Molecular Formula | C20H31NO3 |
| Exact Mass | 333.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DRapB1piKRx |
|---|---|
| Name | .beta.-Alanine, N-(2-methylbenzoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.230393859 u |
| Formula | C20H31NO3 |
| InChI | InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-11-16-24-19(22)14-15-21-20(23)18-13-10-9-12-17(18)2/h9-10,12-13H,3-8,11,14-16H2,1-2H3,(H,21,23) |
| InChIKey | WNZPMDDHPDWGBL-UHFFFAOYSA-N |
| Molecular Weight | 333.472 g/mol |
| SMILES | C1(=CC=CC=C1C(NCCC(OCCCCCCCCC)=O)=O)C |