| SpectraBase Compound ID | ErhmMkjBANH |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-4-5-6-7-8-9-13-24-19(22)15(2)20-18(21)16-11-10-12-17(14-16)23-3/h10-12,14-15H,4-9,13H2,1-3H3,(H,20,21) |
| InChIKey | FCKLLKQLHULSHW-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 | JviH0mcJOgN |
|---|---|
| Name | L-Alanine, N-(m-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/c1-4-5-6-7-8-9-13-24-19(22)15(2)20-18(21)16-11-10-12-17(14-16)23-3/h10-12,14-15H,4-9,13H2,1-3H3,(H,20,21) |
| InChIKey | FCKLLKQLHULSHW-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | C1=CC(=CC(=C1)OC)C(NC(C)C(OCCCCCCCC)=O)=O |