| SpectraBase Compound ID | EmrSxDRUHco |
|---|---|
| InChI | InChI=1S/C15H14O4/c1-3-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-4-2/h1,5-10H,4,11H2,2H3/b8-5+ |
| InChIKey | TZGMJMPSQOJWMW-VMPITWQZSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C15H14O4 |
| Exact Mass | 258.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32MoZxrUFmR |
|---|---|
| Name | Phthalic acid, ethyl pent-2-en-4-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.089208927 u |
| Formula | C15H14O4 |
| InChI | InChI=1S/C15H14O4/c1-3-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-4-2/h1,5-10H,4,11H2,2H3/b8-5+ |
| InChIKey | TZGMJMPSQOJWMW-VMPITWQZSA-N |
| Molecular Weight | 258.273 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC\C=C\C#C)=O)C(OCC)=O |