| SpectraBase Compound ID | 7hE0yfRkXR9 |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-4-9(2)11-7-5-6-8-12(11)14-10(3)13/h5-9H,4H2,1-3H3 |
| InChIKey | WZBSXXFUIDAFCO-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpI10ZNU0wv |
|---|---|
| Name | 2-sec-Butylphenol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-4-9(2)11-7-5-6-8-12(11)14-10(3)13/h5-9H,4H2,1-3H3 |
| InChIKey | WZBSXXFUIDAFCO-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(CC)(C)C1=C(OC(C)=O)C=CC=C1 |