| SpectraBase Compound ID | 4dCirTocNqJ |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(15-10(2)13)3-4-11-5-7-12(14)8-6-11/h5-9,14H,3-4H2,1-2H3 |
| InChIKey | SIAARBXVWRWGGR-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 | 2oM0qhCiMYa |
|---|---|
| Name | 4-(4-Hydroxyphenyl)butan-2-yl acetate |
| 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(15-10(2)13)3-4-11-5-7-12(14)8-6-11/h5-9,14H,3-4H2,1-2H3 |
| InChIKey | SIAARBXVWRWGGR-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(=O)(OC(CCC=1C=CC(=CC1)O)C)C |