| SpectraBase Compound ID | GBSGYtsBCKn |
|---|---|
| InChI | InChI=1S/C21H33NO4/c1-4-5-6-7-8-9-10-11-16-26-21(24)17(2)22-20(23)18-12-14-19(25-3)15-13-18/h12-15,17H,4-11,16H2,1-3H3,(H,22,23) |
| InChIKey | LGTSRMGLHRQYAQ-UHFFFAOYSA-N |
| Mol Weight | 363.5 g/mol |
| Molecular Formula | C21H33NO4 |
| Exact Mass | 363.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bw31PSTOqkS |
|---|---|
| Name | D-Alanine, N-(4-anisoyl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.240958543 u |
| Formula | C21H33NO4 |
| InChI | InChI=1S/C21H33NO4/c1-4-5-6-7-8-9-10-11-16-26-21(24)17(2)22-20(23)18-12-14-19(25-3)15-13-18/h12-15,17H,4-11,16H2,1-3H3,(H,22,23) |
| InChIKey | LGTSRMGLHRQYAQ-UHFFFAOYSA-N |
| Molecular Weight | 363.498 g/mol |
| SMILES | C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCCC)=O)C |