| SpectraBase Compound ID | 2b5WepaLd2K |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-8-2-4-9(5-3-8)12(14)10-6-7-11(13)15-10/h2-5,10H,6-7H2,1H3 |
| InChIKey | ZPUHFZADBWHMQL-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgO9RoX5RjK |
|---|---|
| Name | 5-(4-Methylbenzoyl)oxolan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-8-2-4-9(5-3-8)12(14)10-6-7-11(13)15-10/h2-5,10H,6-7H2,1H3 |
| InChIKey | ZPUHFZADBWHMQL-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C1(OC(CC1)=O)C(C1=CC=C(C=C1)C)=O |