| SpectraBase Compound ID | BV9tBi7aKFw |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)8-15-11-6-4-5-10(7-11)12(13)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | BVTRRBSWLXDGKB-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FiUFVaxTt2 |
|---|---|
| Name | Benzoic acid, 3-(2-methylpropyl)oxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)8-15-11-6-4-5-10(7-11)12(13)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | BVTRRBSWLXDGKB-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=C(C=CC=C1C(OC)=O)OCC(C)C |