| SpectraBase Compound ID | AIKev8ir2rZ |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-9(2)11(4)15-13(14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3 |
| InChIKey | UWWVEOGQBMAWBE-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 | Kukek3I5ozp |
|---|---|
| Name | Benzoic acid, 4-methyl-, 3-methyl-2-butyl 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)11(4)15-13(14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3 |
| InChIKey | UWWVEOGQBMAWBE-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | CC1=CC=C(C(OC(C(C)C)C)=O)C=C1 |