| SpectraBase Compound ID | 2AUpW3rblFX |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-4-5-6-7-8-9-14-24-19(22)15(2)20-18(21)16-10-12-17(23-3)13-11-16/h10-13,15H,4-9,14H2,1-3H3,(H,20,21) |
| InChIKey | YJSACINDSSKXRZ-UHFFFAOYSA-N |
| Mol Weight | 335.44 g/mol |
| Molecular Formula | C19H29NO4 |
| Exact Mass | 335.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G48e6nolX0M |
|---|---|
| Name | D-Alanine, N-(4-anisoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.209658414 u |
| Formula | C19H29NO4 |
| InChI | InChI=1S/C19H29NO4/c1-4-5-6-7-8-9-14-24-19(22)15(2)20-18(21)16-10-12-17(23-3)13-11-16/h10-13,15H,4-9,14H2,1-3H3,(H,20,21) |
| InChIKey | YJSACINDSSKXRZ-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCC)=O)C |