| SpectraBase Compound ID | 72zIYVWrM9n |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-11,13-14H,1H2,2-3H3/b11-10+ |
| InChIKey | QTIJTUKRXGYXHC-ZHACJKMWSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KhdDXKpff7D |
|---|---|
| Name | 2-(5-Phenylpenta-1,4-dien-3-yl)malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-11,13-14H,1H2,2-3H3/b11-10+ |
| InChIKey | QTIJTUKRXGYXHC-ZHACJKMWSA-N |
| SMILES | C(C(=O)OC)(C(=O)OC)C(\C=C\C=1C=CC=CC1)C=C |