| SpectraBase Compound ID | 4GFdvngR4Vn |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(13)8-10(2)15-12(14)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3 |
| InChIKey | VFXOTLKPJVOIAI-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 | C0Ww6D8oSye |
|---|---|
| Name | (3-Hydroxy-1-methyl-butyl) benzoate |
| 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(13)8-10(2)15-12(14)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3 |
| InChIKey | VFXOTLKPJVOIAI-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(OC(CC(O)C)C)(=O)C=1C=CC=CC1 |