| SpectraBase Compound ID | 8SjOusTliXT |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-8(11)7-9-5-3-2-4-6-10(9)12/h9H,2-7H2,1H3 |
| InChIKey | UJSZNPKZSFYPBL-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMWGzzJgLmT |
|---|---|
| Name | 2-Acetonylcycloheptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-8(11)7-9-5-3-2-4-6-10(9)12/h9H,2-7H2,1H3 |
| InChIKey | UJSZNPKZSFYPBL-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1CCC(C(CC1)=O)CC(=O)C |