| SpectraBase Compound ID | DbDHHrHJG0M |
|---|---|
| InChI | InChI=1S/C21H33NO5/c1-3-4-10-16-20(23)17-13-15-19(22(25)26)14-11-8-6-5-7-9-12-18-21(24)27-2/h5,7-8,11,13,15,17,20,23H,3-4,6,9-10,12,14,16,18H2,1-2H3/b7-5-,11-8-,17-13+,19-15+ |
| InChIKey | NUTLUXUCJSFODA-WKAUPWAKSA-N |
| Mol Weight | 379.5 g/mol |
| Molecular Formula | C21H33NO5 |
| Exact Mass | 379.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTFR4kjrVzY |
|---|---|
| Name | Methyl (5Z,8Z,11E,13E)-15-hydroxy-11-nitroeicosa-5,8,11,13-tetraenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.235873162 u |
| Formula | C21H33NO5 |
| InChI | InChI=1S/C21H33NO5/c1-3-4-10-16-20(23)17-13-15-19(22(25)26)14-11-8-6-5-7-9-12-18-21(24)27-2/h5,7-8,11,13,15,17,20,23H,3-4,6,9-10,12,14,16,18H2,1-2H3/b7-5-,11-8-,17-13+,19-15+ |
| InChIKey | NUTLUXUCJSFODA-WKAUPWAKSA-N |
| Molecular Weight | 379.497 g/mol |
| SMILES | C(\C=C\C=C/(N(=O)=O)C\C=C/C\C=C/CCCC(=O)OC)(O)CCCCC |