| SpectraBase Compound ID | E0rFRebsT67 |
|---|---|
| InChI | InChI=1S/C18H14O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,15H2/b14-13- |
| InChIKey | CTFXGKKESWKQJA-YPKPFQOOSA-N |
| Mol Weight | 262.31 g/mol |
| Molecular Formula | C18H14O2 |
| Exact Mass | 262.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7Dm6DDzAo4 |
|---|---|
| Name | (Z)-3-Phenyl-2-propenoic acid 3-phenylprop-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.099379689 u |
| Formula | C18H14O2 |
| InChI | InChI=1S/C18H14O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,15H2/b14-13- |
| InChIKey | CTFXGKKESWKQJA-YPKPFQOOSA-N |
| Molecular Weight | 262.308 g/mol |
| SMILES | C(#CCOC(\C=C/C=1C=CC=CC1)=O)C=1C=CC=CC1 |