| SpectraBase Compound ID | IVUNb31cEFA |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-17(15(18)20-2,16(19)21-3)13-9-5-8-12-14-10-6-4-7-11-14/h4-12H,13H2,1-3H3/b9-5+,12-8+ |
| InChIKey | AFCBDYDUCLBDFK-PIHCAMFYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EKGlRNUKJ0L |
|---|---|
| Name | 2-Methyl-2-(5-phenylpenta-2,4-dien-1-yl)malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.136159120 u |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-17(15(18)20-2,16(19)21-3)13-9-5-8-12-14-10-6-4-7-11-14/h4-12H,13H2,1-3H3/b9-5+,12-8+ |
| InChIKey | AFCBDYDUCLBDFK-PIHCAMFYSA-N |
| SMILES | C(C(=O)OC)(C(=O)OC)(C\C=C\C=C\C1=CC=CC=C1)C |