| SpectraBase Compound ID | 8my6XHV1bpz |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-9(12(14)15-2)8-11(13)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | ZGQVLCCXCSTEQD-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 | D6DICrvQQcg |
|---|---|
| Name | Methyl 2-methylidene-4-phenyl-4-oxobutanoate |
| 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/c1-9(12(14)15-2)8-11(13)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | ZGQVLCCXCSTEQD-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C(C(=O)OC)(CC(=O)C1=CC=CC=C1)=C |