![Isoxazole, 5-[[4-(3-bromophenoxy)phenoxy]methyl]-3-methyl-](/api/spectrum/Awp6hVPpKe3/structure.png?h=300&w=458 "Isoxazole, 5-[[4-(3-bromophenoxy)phenoxy]methyl]-3-methyl-")
| SpectraBase Compound ID | DjlFB8hITPU |
|---|---|
| InChI | InChI=1S/C17H14BrNO3/c1-12-9-17(22-19-12)11-20-14-5-7-15(8-6-14)21-16-4-2-3-13(18)10-16/h2-10H,11H2,1H3 |
| InChIKey | UGXMABXEDNTISI-UHFFFAOYSA-N |
| Mol Weight | 360.21 g/mol |
| Molecular Formula | C17H14BrNO3 |
| Exact Mass | 359.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Awp6hVPpKe3 |
|---|---|
| Name | Isoxazole, 5-[[4-(3-bromophenoxy)phenoxy]methyl]-3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.015706312 u |
| Formula | C17H14BrNO3 |
| InChI | InChI=1S/C17H14BrNO3/c1-12-9-17(22-19-12)11-20-14-5-7-15(8-6-14)21-16-4-2-3-13(18)10-16/h2-10H,11H2,1H3 |
| InChIKey | UGXMABXEDNTISI-UHFFFAOYSA-N |
| Molecular Weight | 360.207 g/mol |
| SMILES | C1(=CC=CC(=C1)Br)OC1=CC=C(C=C1)OCC1=CC(=NO1)C |