| SpectraBase Compound ID | KxIdisTfy1F |
|---|---|
| InChI | InChI=1S/C27H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h3-4,6-7,9-10,18-21,25,29H,2,5,8,11-17,22H2,1H3,(H,28,30)(H,31,32)/b4-3-,7-6-,10-9- |
| InChIKey | DEQLZTQITSWABQ-PDBXOOCHSA-N |
| Mol Weight | 441.6 g/mol |
| Molecular Formula | C27H39NO4 |
| Exact Mass | 441.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnuuKpBQIwV |
|---|---|
| Name | N-(.alpha.-Linolenoyl)tyrosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 441.287908736 u |
| Formula | C27H39NO4 |
| InChI | InChI=1S/C27H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h3-4,6-7,9-10,18-21,25,29H,2,5,8,11-17,22H2,1H3,(H,28,30)(H,31,32)/b4-3-,7-6-,10-9- |
| InChIKey | DEQLZTQITSWABQ-PDBXOOCHSA-N |
| Molecular Weight | 441.612 g/mol |
| SMILES | C(\C=C/C\C=C/C\C=C/CC)CCCCCCC(NC(CC1=CC=C(C=C1)O)C(=O)O)=O |