| SpectraBase Compound ID | K4XrFJFFXZX |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h1,3-5,7-8,10H,6H2,(H,12,13) |
| InChIKey | HLLOQKAJNPXKKB-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 | CWMUM5HarWo |
|---|---|
| Name | 2-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/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h1,3-5,7-8,10H,6H2,(H,12,13) |
| InChIKey | HLLOQKAJNPXKKB-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(C(C=1C=CC=CC1)CC#C)(=O)O |