| SpectraBase Compound ID | K4fDFdAsb6G |
|---|---|
| InChI | InChI=1S/C18H21NO4/c20-16-13-15(14-9-5-4-6-10-14)18(23)19(16)12-8-3-1-2-7-11-17(21)22/h4-6,9-10,13H,1-3,7-8,11-12H2,(H,21,22) |
| InChIKey | RZPIKUOUHFPFCP-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xp2q6hwZSf |
|---|---|
| Name | 8-(2,5-Diketo-3-phenyl-3-pyrrolin-1-yl)caprylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c20-16-13-15(14-9-5-4-6-10-14)18(23)19(16)12-8-3-1-2-7-11-17(21)22/h4-6,9-10,13H,1-3,7-8,11-12H2,(H,21,22) |
| InChIKey | RZPIKUOUHFPFCP-UHFFFAOYSA-N |
| SMILES | C1(N(C(C=C1C=1C=CC=CC1)=O)CCCCCCCC(=O)O)=O |