![2-Methyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid dimethyl ester](/api/spectrum/KpHERGv0UpU/structure.png?h=300&w=458 "2-Methyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid dimethyl ester")
| SpectraBase Compound ID | H3Key7NgmJE |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-15(13(16)18-2,14(17)19-3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+ |
| InChIKey | MWVNJPXCTNQVBS-JXMROGBWSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KpHERGv0UpU |
|---|---|
| Name | 2-Methyl-2-[(E)-3-phenylprop-2-enyl]propanedioic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.120509056 u |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-15(13(16)18-2,14(17)19-3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+ |
| InChIKey | MWVNJPXCTNQVBS-JXMROGBWSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)(C\C=C\C1=CC=CC=C1)C |