| SpectraBase Compound ID | 77hz8uOKjfI |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KKLBVJNMBJECIO-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 | AL6KxiSFyf9 |
|---|---|
| Name | (Phenylmethyl) 3-methyl-2-oxidanylidene-butanoate |
| 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/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KKLBVJNMBJECIO-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(C(=O)C(C)C)(OCC=1C=CC=CC1)=O |