| SpectraBase Compound ID | PA1uMJlleD |
|---|---|
| InChI | InChI=1S/C15H14O4/c1-3-19-13(16)8-12-9(2)14(17)10-6-4-5-7-11(10)15(12)18/h4-7H,3,8H2,1-2H3 |
| InChIKey | PDAMUPUDMSEHJB-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C15H14O4 |
| Exact Mass | 258.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFmHmeGPZIC |
|---|---|
| Name | Ethyl (3-methyl-1,4-dioxo-1,4-dhydro-2-naphthyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.089208927 u |
| Formula | C15H14O4 |
| InChI | InChI=1S/C15H14O4/c1-3-19-13(16)8-12-9(2)14(17)10-6-4-5-7-11(10)15(12)18/h4-7H,3,8H2,1-2H3 |
| InChIKey | PDAMUPUDMSEHJB-UHFFFAOYSA-N |
| Molecular Weight | 258.273 g/mol |
| SMILES | C12=C(C=CC=C2)C(C(=C(C1=O)C)CC(OCC)=O)=O |