| SpectraBase Compound ID | 6dPP3HEWVJi |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,13H,6-7H2,1-2H3 |
| InChIKey | VVDCIVZOAMDIRF-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 | eS8YTS2z3H |
|---|---|
| Name | Benzoic acid, 3-hydroxy-, 3-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/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,13H,6-7H2,1-2H3 |
| InChIKey | VVDCIVZOAMDIRF-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCC(C)C)=O)O |