| SpectraBase Compound ID | 1IMH43HAU3y |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-3-16-13(15)8(2)12(14)9-4-5-10-11(6-9)18-7-17-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | HBNSXYHGWVVJFI-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qubGCsyGDQ |
|---|---|
| Name | Ethyl 2-methyl-3-(3,4-methylenedioxyphenyl)-3-oxo propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-3-16-13(15)8(2)12(14)9-4-5-10-11(6-9)18-7-17-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | HBNSXYHGWVVJFI-UHFFFAOYSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C1(C(C(C(OCC)=O)C)=O)=CC2=C(C=C1)OCO2 |