| SpectraBase Compound ID | 8QDMWAGGap1 |
|---|---|
| InChI | InChI=1S/C12H14O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | TVKMRMXVNWHKTF-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WWHgFSBXjz |
|---|---|
| Name | 2-Benzylcyclopentan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | TVKMRMXVNWHKTF-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1(C(CCC1)CC=1C=CC=CC1)=O |