| SpectraBase Compound ID | 4RA4oGV0RzE |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+ |
| InChIKey | JJTXDKSJRSUMCP-FNORWQNLSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16fky3sFVsX |
|---|---|
| Name | (E)-2-Hexenedioic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+ |
| InChIKey | JJTXDKSJRSUMCP-FNORWQNLSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(\C=C\CCC(=O)OCC)(=O)OCC |