| SpectraBase Compound ID | 8ppVi7zptOm |
|---|---|
| InChI | InChI=1S/C10H14O5/c1-3-15-9(12)7-5-4-6-8(11)10(13)14-2/h5,7H,3-4,6H2,1-2H3/b7-5+ |
| InChIKey | CCGOYQRNKGQBIJ-FNORWQNLSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C10H14O5 |
| Exact Mass | 214.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9oZqufd6v4 |
|---|---|
| Name | (E)-1-Ethyl 7-methyl 6-oxohept-2-enedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.084123546 u |
| Formula | C10H14O5 |
| InChI | InChI=1S/C10H14O5/c1-3-15-9(12)7-5-4-6-8(11)10(13)14-2/h5,7H,3-4,6H2,1-2H3/b7-5+ |
| InChIKey | CCGOYQRNKGQBIJ-FNORWQNLSA-N |
| Molecular Weight | 214.217 g/mol |
| SMILES | C(=O)(CC\C=C\C(OCC)=O)C(OC)=O |