| SpectraBase Compound ID | KEjBCrH5xDD |
|---|---|
| InChI | InChI=1S/C16H16O4/c1-3-19-15(17)14(16(18)20-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4H2,1-2H3 |
| InChIKey | IVLDMYYWNWOSLO-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsjPAU2nEph |
|---|---|
| Name | Propanedioic acid, 2-(3-phenyl-2-propyn-1-ylidene)-, 1,3-diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.104858991 u |
| Formula | C16H16O4 |
| InChI | InChI=1S/C16H16O4/c1-3-19-15(17)14(16(18)20-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4H2,1-2H3 |
| InChIKey | IVLDMYYWNWOSLO-UHFFFAOYSA-N |
| Molecular Weight | 272.300 g/mol |
| SMILES | C1(=CC=CC=C1)C#CC=C(C(OCC)=O)C(OCC)=O |