| SpectraBase Compound ID | CLQAxnzKQYR |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-12(13-8-6-5-7-9-13)14-10-16(19-3)17(20-4)11-15(14)18-2/h5-12H,1-4H3 |
| InChIKey | PECUEGHWDBWJOU-UHFFFAOYSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuagGC7i3h4 |
|---|---|
| Name | 1-Phenyl-1-(2,4,5-trimethoxyphenyl)ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-12(13-8-6-5-7-9-13)14-10-16(19-3)17(20-4)11-15(14)18-2/h5-12H,1-4H3 |
| InChIKey | PECUEGHWDBWJOU-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)C(C)C1=CC(=C(C=C1OC)OC)OC |