| SpectraBase Compound ID | L7KTNQIwVou |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-3-4-5-6-7-8-9-16-25-19(22)14-15-21-20(23)17-10-12-18(24-2)13-11-17/h10-13H,3-9,14-16H2,1-2H3,(H,21,23) |
| InChIKey | JZEHJCBVRWYXRS-UHFFFAOYSA-N |
| Mol Weight | 349.47 g/mol |
| Molecular Formula | C20H31NO4 |
| Exact Mass | 349.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSOGjlcsQi1 |
|---|---|
| Name | .beta.-Alanine, N-(4-methoxybenzoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.225308478 u |
| Formula | C20H31NO4 |
| InChI | InChI=1S/C20H31NO4/c1-3-4-5-6-7-8-9-16-25-19(22)14-15-21-20(23)17-10-12-18(24-2)13-11-17/h10-13H,3-9,14-16H2,1-2H3,(H,21,23) |
| InChIKey | JZEHJCBVRWYXRS-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCCCCCCCC)=O)=O)OC |