| SpectraBase Compound ID | Leto3I5Btu2 |
|---|---|
| InChI | InChI=1S/C13H14O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,7,11H2,(H,14,15) |
| InChIKey | OXPQXCWBBDMQRS-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wXyD4NZEfD |
|---|---|
| Name | 7-Phenyl-6-heptynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,7,11H2,(H,14,15) |
| InChIKey | OXPQXCWBBDMQRS-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C(#CCCCCC(=O)O)C=1C=CC=CC1 |