| SpectraBase Compound ID | 6MO0ltdQCPK |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-8-3-4-10(7-9(8)2)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15) |
| InChIKey | UXIHUHNPOHTZAQ-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKxfp2I3v4k |
|---|---|
| Name | Benzenebutanoic acid, 3,4-dimethyl-.gamma.-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-8-3-4-10(7-9(8)2)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15) |
| InChIKey | UXIHUHNPOHTZAQ-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1(=CC(C)=C(C=C1)C)C(=O)CCC(O)=O |