| SpectraBase Compound ID | B0j1bEzEJrS |
|---|---|
| InChI | InChI=1S/C14H14O4/c1-18-14(17)10-13(16)9-12(15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+ |
| InChIKey | LANOKECRDQDWOU-BQYQJAHWSA-N |
| Mol Weight | 246.26 g/mol |
| Molecular Formula | C14H14O4 |
| Exact Mass | 246.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7E2FjtA9CW |
|---|---|
| Name | Methyl-(E)-7-phenyl-3,5-dioxo-6-heptenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.089208927 u |
| Formula | C14H14O4 |
| InChI | InChI=1S/C14H14O4/c1-18-14(17)10-13(16)9-12(15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+ |
| InChIKey | LANOKECRDQDWOU-BQYQJAHWSA-N |
| Molecular Weight | 246.262 g/mol |
| SMILES | C(C(=O)OC)C(CC(\C=C\C=1C=CC=CC1)=O)=O |