| SpectraBase Compound ID | 75xoxvXdLbi |
|---|---|
| InChI | InChI=1S/C14H16O2/c15-13-8-4-7-12(13)9-10-14(16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 |
| InChIKey | FIZQWELVEKVTOO-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vnJgUTx3kx |
|---|---|
| Name | 2-(3'-Phenyl-3'-oxo-propyl)-cyclopentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c15-13-8-4-7-12(13)9-10-14(16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 |
| InChIKey | FIZQWELVEKVTOO-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C1(CCCC1=O)CCC(=O)C1=CC=CC=C1 |