| SpectraBase Compound ID | 7HPc2s1RVqH |
|---|---|
| InChI | InChI=1S/C14H14O2/c1-10-7-13(15)8-12(10)9-14(16)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3 |
| InChIKey | SFMLCKOUVLUABR-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C14H14O2 |
| Exact Mass | 214.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XXAyfoHCzA |
|---|---|
| Name | (rs)-3-Methyl-4-(2-oxo-2-phenylethyl)cyclopent-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.099379689 u |
| Formula | C14H14O2 |
| InChI | InChI=1S/C14H14O2/c1-10-7-13(15)8-12(10)9-14(16)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3 |
| InChIKey | SFMLCKOUVLUABR-UHFFFAOYSA-N |
| Molecular Weight | 214.264 g/mol |
| SMILES | C1(C=C(C(C1)CC(C=1C=CC=CC1)=O)C)=O |