| SpectraBase Compound ID | 2uMETKuK3Rv |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h1,3-5,7-8,11H,6,9H2,(H,13,14) |
| InChIKey | MFBKGGTURGCUAO-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RR2DBs1zsX |
|---|---|
| Name | 3-Phenyl-5-hexynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h1,3-5,7-8,11H,6,9H2,(H,13,14) |
| InChIKey | MFBKGGTURGCUAO-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C(#C)CC(CC(=O)O)C=1C=CC=CC1 |