| SpectraBase Compound ID | KUK77NV7IgG |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-8(2)12(13)14-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3 |
| InChIKey | HXKJOHRJWKYBNW-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 | 5iN5CDbA9m |
|---|---|
| Name | Isobutyric acid, 2,3-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)14-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3 |
| InChIKey | HXKJOHRJWKYBNW-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(C)C)(=O)OC=1C=CC=C(C)C1C |