| SpectraBase Compound ID | HL9tp0FSLVL |
|---|---|
| InChI | InChI=1S/C12H12O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11/h2-5,8H,6-7H2,1H3 |
| InChIKey | MFJWMYNWJWHZGX-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPE2LV3iXBK |
|---|---|
| Name | 3-(4-Methylphenyl)-1-cyclopent-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11/h2-5,8H,6-7H2,1H3 |
| InChIKey | MFJWMYNWJWHZGX-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C1(=CC(=O)CC1)C=1C=CC(=CC1)C |