| SpectraBase Compound ID | 4G9aTLC0UP4 |
|---|---|
| InChI | InChI=1S/C17H14O2/c1-2-9-16(18)19-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,17H,1H3 |
| InChIKey | JRAPUTFJMKSGEX-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C17H14O2 |
| Exact Mass | 250.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdyUS2btje3 |
|---|---|
| Name | Diphenylmethyl but-2-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.099379689 u |
| Formula | C17H14O2 |
| InChI | InChI=1S/C17H14O2/c1-2-9-16(18)19-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,17H,1H3 |
| InChIKey | JRAPUTFJMKSGEX-UHFFFAOYSA-N |
| Molecular Weight | 250.297 g/mol |
| SMILES | C(C#CC)(=O)OC(C=1C=CC=CC1)C=1C=CC=CC1 |