| SpectraBase Compound ID | 1QJhe8OyONq |
|---|---|
| InChI | InChI=1S/C16H16O/c1-12-8-13(2)10-15(9-12)16(17)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3 |
| InChIKey | QLMINIZEJASWSI-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C16H16O |
| Exact Mass | 224.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnYGiBazz5x |
|---|---|
| Name | 1-(3,5-Dimethylphenyl)-2-phenylethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.120115134 u |
| Formula | C16H16O |
| InChI | InChI=1S/C16H16O/c1-12-8-13(2)10-15(9-12)16(17)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3 |
| InChIKey | QLMINIZEJASWSI-UHFFFAOYSA-N |
| Molecular Weight | 224.303 g/mol |
| SMILES | C=1(C=C(C=C(C1)C)C(=O)CC1=CC=CC=C1)C |