![1-Benzoyl[1]staffane](/api/spectrum/IxVgo7ReJ1p/structure.png?h=300&w=458 "1-Benzoyl[1]staffane")
| SpectraBase Compound ID | LdLXT8FTL4g |
|---|---|
| InChI | InChI=1S/C12H12O/c13-11(10-4-2-1-3-5-10)12-6-9(7-12)8-12/h1-5,9H,6-8H2 |
| InChIKey | RFKFIRBCCGZRGY-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxVgo7ReJ1p |
|---|---|
| Name | 1-Benzoyl[1]staffane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c13-11(10-4-2-1-3-5-10)12-6-9(7-12)8-12/h1-5,9H,6-8H2 |
| InChIKey | RFKFIRBCCGZRGY-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C12(C(=O)C=3C=CC=CC3)CC(C1)C2 |