| SpectraBase Compound ID | LfFuzxZfqxk |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,9H,8H2,1-4H3 |
| InChIKey | GTPKWUXYZVVAET-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdlVe6OgBHr |
|---|---|
| Name | 4'-Hydroxy-3'-methoxyacetophenone, 2-methylpropyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,9H,8H2,1-4H3 |
| InChIKey | GTPKWUXYZVVAET-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1(=CC(OC)=C(C=C1)OCC(C)C)C(=O)C |