| SpectraBase Compound ID | HWjRQWmAizO |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-15-25-20(23)16(2)21-19(22)17-11-13-18(24-3)14-12-17/h11-14,16H,4-10,15H2,1-3H3,(H,21,22) |
| InChIKey | BEHYMOZOUKPLPJ-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 | Dkf1U7AdTl2 |
|---|---|
| Name | D-Alanine, N-(4-anisoyl)-, 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/c1-4-5-6-7-8-9-10-15-25-20(23)16(2)21-19(22)17-11-13-18(24-3)14-12-17/h11-14,16H,4-10,15H2,1-3H3,(H,21,22) |
| InChIKey | BEHYMOZOUKPLPJ-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCC)=O)C |