| SpectraBase Compound ID | 5a7YwqhWk3p |
|---|---|
| InChI | InChI=1S/C9H6O2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,3-7H |
| InChIKey | OKTKLJDZIPARGG-UHFFFAOYSA-N |
| Mol Weight | 146.14 g/mol |
| Molecular Formula | C9H6O2 |
| Exact Mass | 146.036779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Je522FlC3J6 |
|---|---|
| Name | Phenyl prop-2-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.036779431 u |
| Formula | C9H6O2 |
| InChI | InChI=1S/C9H6O2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,3-7H |
| InChIKey | OKTKLJDZIPARGG-UHFFFAOYSA-N |
| Molecular Weight | 146.145 g/mol |
| SMILES | C(C(OC=1C=CC=CC1)=O)#C |