| SpectraBase Compound ID | DfxNhEng97E |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-8(2)15-11-6-5-10(9(3)13)7-12(11)14-4/h5-8H,1-4H3 |
| InChIKey | PAXBEXJJMTYDKY-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 | Bfpcta08JPe |
|---|---|
| Name | 4'-Hydroxy-3'-methoxyacetophenone, isopropyl ether |
| 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/c1-8(2)15-11-6-5-10(9(3)13)7-12(11)14-4/h5-8H,1-4H3 |
| InChIKey | PAXBEXJJMTYDKY-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(=CC(OC)=C(C=C1)OC(C)C)C(=O)C |