| SpectraBase Compound ID | DNlQF75NBJL |
|---|---|
| InChI | InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,13-15H2 |
| InChIKey | OHQQWIYKHZMTGT-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C18H16O2 |
| Exact Mass | 264.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEfdhrJHjTJ |
|---|---|
| Name | Phenylpropargyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.115029753 u |
| Formula | C18H16O2 |
| InChI | InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,13-15H2 |
| InChIKey | OHQQWIYKHZMTGT-UHFFFAOYSA-N |
| Molecular Weight | 264.324 g/mol |
| SMILES | C1=C(C=CC=C1)CCC(OCC#CC1=CC=CC=C1)=O |