![2-[4-(Bromomethyl)phenyl]-1-(3,4-dimethoxybenzyloxy)ethane](/api/spectrum/JTo9onKqyuG/structure.png?h=300&w=458 "2-[4-(Bromomethyl)phenyl]-1-(3,4-dimethoxybenzyloxy)ethane")
| SpectraBase Compound ID | DRIYpmF3gZG |
|---|---|
| InChI | InChI=1S/C18H21BrO3/c1-20-17-8-7-16(11-18(17)21-2)13-22-10-9-14-3-5-15(12-19)6-4-14/h3-8,11H,9-10,12-13H2,1-2H3 |
| InChIKey | CUNRVNUPVNEPHL-UHFFFAOYSA-N |
| Mol Weight | 365.27 g/mol |
| Molecular Formula | C18H21BrO3 |
| Exact Mass | 364.067408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTo9onKqyuG |
|---|---|
| Name | 2-[4-(Bromomethyl)phenyl]-1-(3,4-dimethoxybenzyloxy)ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.067407533 u |
| Formula | C18H21BrO3 |
| InChI | InChI=1S/C18H21BrO3/c1-20-17-8-7-16(11-18(17)21-2)13-22-10-9-14-3-5-15(12-19)6-4-14/h3-8,11H,9-10,12-13H2,1-2H3 |
| InChIKey | CUNRVNUPVNEPHL-UHFFFAOYSA-N |
| Molecular Weight | 365.267 g/mol |
| SMILES | C(CC=1C=CC(=CC1)CBr)OCC=1C=C(C(=CC1)OC)OC |