![2-Propyn-1-one, 1-[2-(phenylmethyl)phenyl]-](/api/spectrum/GTyA3k2ZPoI/structure.png?h=300&w=458 "2-Propyn-1-one, 1-[2-(phenylmethyl)phenyl]-")
| SpectraBase Compound ID | KBv1GWdXXbS |
|---|---|
| InChI | InChI=1S/C16H12O/c1-2-16(17)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h1,3-11H,12H2 |
| InChIKey | ZJMJNSCWBIHVEV-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C16H12O |
| Exact Mass | 220.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTyA3k2ZPoI |
|---|---|
| Name | 2-Propyn-1-one, 1-[2-(phenylmethyl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.088815005 u |
| Formula | C16H12O |
| InChI | InChI=1S/C16H12O/c1-2-16(17)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h1,3-11H,12H2 |
| InChIKey | ZJMJNSCWBIHVEV-UHFFFAOYSA-N |
| Molecular Weight | 220.271 g/mol |
| SMILES | C(C(C=1C(CC=2C=CC=CC2)=CC=CC1)=O)#C |