| SpectraBase Compound ID | CvjweWt0PzG |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-9(2)16-12-6-5-11(7-10(3)14)8-13(12)15-4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey | OVOXREXZDUMELB-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 | 9lmLZhIkDd7 |
|---|---|
| Name | Propan-2-one, 1-(4-isopropoxy-3-methoxyphenyl)- |
| 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)16-12-6-5-11(7-10(3)14)8-13(12)15-4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey | OVOXREXZDUMELB-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1(=C(C=CC(=C1)CC(=O)C)OC(C)C)OC |