| SpectraBase Compound ID | DgQGc0cmVLW |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-9(2)8-15-13(14)12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3 |
| InChIKey | WHNFNHIBPWHTFA-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMaXYYbZtHa |
|---|---|
| Name | Benzoic acid, 2,4-dimethyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-9(2)8-15-13(14)12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3 |
| InChIKey | WHNFNHIBPWHTFA-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C1=CC=C(C=C1C)C)(=O)OCC(C)C |