| SpectraBase Compound ID | AYTbRiXp6jy |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-10(13)15-8-4-2-3-5-11-6-7-12(14)9-11/h11H,2-9H2,1H3 |
| InChIKey | ROYVQBWJUFLYEY-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFBvEe5H9ry |
|---|---|
| Name | 3-(5'-Acetoxypentyl)cyclopentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-10(13)15-8-4-2-3-5-11-6-7-12(14)9-11/h11H,2-9H2,1H3 |
| InChIKey | ROYVQBWJUFLYEY-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(=O)(OCCCCCC1CC(=O)CC1)C |