| SpectraBase Compound ID | 3qSCRqRFIpF |
|---|---|
| InChI | InChI=1S/C16H14O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3-12,17H,13H2 |
| InChIKey | BWZTZBBQICLASF-UHFFFAOYSA-N |
| Mol Weight | 222.29 g/mol |
| Molecular Formula | C16H14O |
| Exact Mass | 222.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwbIzVMFMjt |
|---|---|
| Name | 1,1-Diphenylbut-3-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.104465070 u |
| Formula | C16H14O |
| InChI | InChI=1S/C16H14O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3-12,17H,13H2 |
| InChIKey | BWZTZBBQICLASF-UHFFFAOYSA-N |
| Molecular Weight | 222.287 g/mol |
| SMILES | C(O)(C1=CC=CC=C1)(C1=CC=CC=C1)CC#C |