| SpectraBase Compound ID | HTYP4CXBsXS |
|---|---|
| InChI | InChI=1S/C19H20O3/c1-19(2,3)18(21)22-13-17(20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3 |
| InChIKey | KGZCRDPVHVUDKA-UHFFFAOYSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C19H20O3 |
| Exact Mass | 296.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATEREhvTyvB |
|---|---|
| Name | Pivalic acid, ester with 2-hydroxy-4'-phenylacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.141244501 u |
| Formula | C19H20O3 |
| InChI | InChI=1S/C19H20O3/c1-19(2,3)18(21)22-13-17(20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3 |
| InChIKey | KGZCRDPVHVUDKA-UHFFFAOYSA-N |
| Molecular Weight | 296.366 g/mol |
| SMILES | C=1C(=CC=CC1)C=1C=CC(=CC1)C(COC(C(C)(C)C)=O)=O |