| SpectraBase Compound ID | 61X0RNX7p3R |
|---|---|
| InChI | InChI=1S/C17H16O4/c18-15-9-10-16(19)14(11-15)7-4-8-17(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2 |
| InChIKey | DGTKLDJDYYJOEL-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K9o6xZEGoYZ |
|---|---|
| Name | 1,4-Cyclohexadiene-1-butanoic acid, 3,6-dioxo-, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c18-15-9-10-16(19)14(11-15)7-4-8-17(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2 |
| InChIKey | DGTKLDJDYYJOEL-UHFFFAOYSA-N |
| SMILES | C1(=CC(=O)C=CC1=O)CCCC(=O)OCC=1C=CC=CC1 |