| SpectraBase Compound ID | BhNgEO84tTe |
|---|---|
| InChI | InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)16(18)15-6-4-3-5-14(15)12(2)17/h3-10H,1-2H3 |
| InChIKey | IQZWUOWMFVUNNF-UHFFFAOYSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BC9VAXzxTIR |
|---|---|
| Name | 1-(2-p-Toluoylphenyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.099379689 u |
| Formula | C16H14O2 |
| InChI | InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)16(18)15-6-4-3-5-14(15)12(2)17/h3-10H,1-2H3 |
| InChIKey | IQZWUOWMFVUNNF-UHFFFAOYSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | C=1(C(C2=CC=C(C=C2)C)=O)C(C(=O)C)=CC=CC1 |