| SpectraBase Compound ID | 4fkU3TMKCoA |
|---|---|
| InChI | InChI=1S/C16H14O2/c1-18-16(17)15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+ |
| InChIKey | QACXYHVJLXFBFO-ZHACJKMWSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9YF93qrvqFM |
|---|---|
| Name | Methyl 3-(2-phenylethenyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.099379689 u |
| Formula | C16H14O2 |
| InChI | InChI=1S/C16H14O2/c1-18-16(17)15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+ |
| InChIKey | QACXYHVJLXFBFO-ZHACJKMWSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | C(C=1C=C(\C=C\C2=CC=CC=C2)C=CC1)(=O)OC |