| SpectraBase Compound ID | KCj1PpF5h5w |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-18-14(17)10-8-12(15)7-9-13(16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | ASCAMWHOCPDIET-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9H3WuhcZ4bD |
|---|---|
| Name | 6-Benzoyl-4-oxohexanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-18-14(17)10-8-12(15)7-9-13(16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | ASCAMWHOCPDIET-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C=1C(=CC=CC1)C(CCC(CCC(OC)=O)=O)=O |