| SpectraBase Compound ID | I5W2N6kdgOS |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-9(2)8-15-12(14)10-6-4-5-7-11(10)13/h4-7,9,13H,3,8H2,1-2H3 |
| InChIKey | LCMNCRZMVCRJNZ-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 | HABU8g32fGJ |
|---|---|
| Name | Benzoic acid, 2-hydroxy-, 2-methylbutyl 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/c1-3-9(2)8-15-12(14)10-6-4-5-7-11(10)13/h4-7,9,13H,3,8H2,1-2H3 |
| InChIKey | LCMNCRZMVCRJNZ-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=CC=CC(=C1O)C(OCC(C)CC)=O |