| SpectraBase Compound ID | 7PyiWyXFd58 |
|---|---|
| InChI | InChI=1S/C16H12O2/c1-13-7-10-15(11-8-13)18-16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3 |
| InChIKey | MDZSDTBQPQPGPG-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZkQA5QRhVp |
|---|---|
| Name | (4-Methylphenyl) 3-phenylprop-2-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.083729624 u |
| Formula | C16H12O2 |
| InChI | InChI=1S/C16H12O2/c1-13-7-10-15(11-8-13)18-16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3 |
| InChIKey | MDZSDTBQPQPGPG-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C(#CC=1C=CC=CC1)C(OC=1C=CC(=CC1)C)=O |