| SpectraBase Compound ID | GkMrTNHZdeN |
|---|---|
| InChI | InChI=1S/C16H14O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-5,8-10H,6-7H2,1H3 |
| InChIKey | JLABAJAYOGFVQR-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 | DBj7FsrbTUc |
|---|---|
| Name | 9,10-Dihydro-2-phenanthryl methyl ketone |
| 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/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-5,8-10H,6-7H2,1H3 |
| InChIKey | JLABAJAYOGFVQR-UHFFFAOYSA-N |
| Molecular Weight | 222.287 g/mol |
| SMILES | C(=O)(C)C1=CC2=C(C3=CC=CC=C3CC2)C=C1 |