| SpectraBase Compound ID | Llc0bqPl4Y1 |
|---|---|
| InChI | InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2,(H,12,13) |
| InChIKey | ZHCGPXAMIOKTJU-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFM3RgPpnqF |
|---|---|
| Name | 5-Phenyl-4-pentynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2,(H,12,13) |
| InChIKey | ZHCGPXAMIOKTJU-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | OC(CCC#CC1=CC=CC=C1)=O |