| SpectraBase Compound ID | FPpkJtcXPJE |
|---|---|
| InChI | InChI=1S/C18H23NO4/c20-14-9-10-15(21)17(14)19-16(22)8-4-1-2-5-11-18(23)12-6-3-7-13-18/h1-2,4-5,8,11,20,23H,3,6-7,9-10,12-13H2,(H,19,22)/b2-1+,8-4+,11-5+ |
| InChIKey | QXULSKOODPFCSZ-HOXLXQKJSA-N |
| Mol Weight | 317.38 g/mol |
| Molecular Formula | C18H23NO4 |
| Exact Mass | 317.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5O6Rz2m9oUh |
|---|---|
| Name | N-(2''-Hydroxy-5''-oxocyclopent-1''-en-1''-yl)-7-(1'-hydroxycyclohexyl)hepta-2E,4E,6E-trienamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.162708221 u |
| Formula | C18H23NO4 |
| InChI | InChI=1S/C18H23NO4/c20-14-9-10-15(21)17(14)19-16(22)8-4-1-2-5-11-18(23)12-6-3-7-13-18/h1-2,4-5,8,11,20,23H,3,6-7,9-10,12-13H2,(H,19,22)/b2-1+,8-4+,11-5+ |
| InChIKey | QXULSKOODPFCSZ-HOXLXQKJSA-N |
| Molecular Weight | 317.385 g/mol |
| SMILES | C1(NC(\C=C\C=C\C=C\C2(O)CCCCC2)=O)=C(CCC1=O)O |