| SpectraBase Compound ID | 2USrBhNfqyu |
|---|---|
| InChI | InChI=1S/C13H12O2/c1-3-10-15-13(14)9-8-12-6-4-11(2)5-7-12/h1,4-9H,10H2,2H3/b9-8+ |
| InChIKey | XJJJOPJLPRZXQF-CMDGGOBGSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C13H12O2 |
| Exact Mass | 200.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IQInk7YaJU |
|---|---|
| Name | 2-Propenoic acid, 3-(4-methylphenyl)-, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.083729624 u |
| Formula | C13H12O2 |
| InChI | InChI=1S/C13H12O2/c1-3-10-15-13(14)9-8-12-6-4-11(2)5-7-12/h1,4-9H,10H2,2H3/b9-8+ |
| InChIKey | XJJJOPJLPRZXQF-CMDGGOBGSA-N |
| Molecular Weight | 200.237 g/mol |
| SMILES | C1(=CC=C(C=C1)C)\C=C\C(OCC#C)=O |