| SpectraBase Compound ID | 72exF1uOxSL |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-3-4-5-6-7-12-18(22)19-16-11-9-8-10-15(16)17(21)13-23-14(2)20/h8-11H,3-7,12-13H2,1-2H3,(H,19,22) |
| InChIKey | JQNFSIHQPHNRNX-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Iv5TxcfJGD |
|---|---|
| Name | 3-Oxapentane-1,4-dione, 1-(2'-(octanoylamino)phenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-3-4-5-6-7-12-18(22)19-16-11-9-8-10-15(16)17(21)13-23-14(2)20/h8-11H,3-7,12-13H2,1-2H3,(H,19,22) |
| InChIKey | JQNFSIHQPHNRNX-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C(=O)(CCCCCCC)NC1=CC=CC=C1C(COC(=O)C)=O |