| SpectraBase Compound ID | 6MLoIVp9QxD |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-8(2)12(13)14-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3 |
| InChIKey | UOOFSZVGPNDGKG-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GA8Iv4Flj9n |
|---|---|
| Name | 2-Methylpropionic acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-8(2)12(13)14-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3 |
| InChIKey | UOOFSZVGPNDGKG-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1=C(C=C(C=C1C)C)OC(C(C)C)=O |