| SpectraBase Compound ID | HPFOHeacQYD |
|---|---|
| InChI | InChI=1S/C15H12O3/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-11H,(H,16,17)/b14-11- |
| InChIKey | VMGGXOBTMCEDFQ-KAMYIIQDSA-N |
| Mol Weight | 240.26 g/mol |
| Molecular Formula | C15H12O3 |
| Exact Mass | 240.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RLiE7fF21E |
|---|---|
| Name | beta-Phenoxycinnamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.078644243 u |
| Formula | C15H12O3 |
| InChI | InChI=1S/C15H12O3/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-11H,(H,16,17)/b14-11- |
| InChIKey | VMGGXOBTMCEDFQ-KAMYIIQDSA-N |
| Molecular Weight | 240.258 g/mol |
| SMILES | C1(O\C(=C/C(=O)O)C2=CC=CC=C2)=CC=CC=C1 |