![1,2,4-Oxadiazole, 3-(4-bromophenyl)-5-[(4-methoxyphenoxy)methyl]-](/api/spectrum/GjJpKyiA7s6/structure.png?h=300&w=458 "1,2,4-Oxadiazole, 3-(4-bromophenyl)-5-[(4-methoxyphenoxy)methyl]-")
| SpectraBase Compound ID | 5e9rUN6nV4 |
|---|---|
| InChI | InChI=1S/C16H13BrN2O3/c1-20-13-6-8-14(9-7-13)21-10-15-18-16(19-22-15)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3 |
| InChIKey | DGGIFGOUTAXPCU-UHFFFAOYSA-N |
| Mol Weight | 361.2 g/mol |
| Molecular Formula | C16H13BrN2O3 |
| Exact Mass | 360.010955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjJpKyiA7s6 |
|---|---|
| Name | 1,2,4-Oxadiazole, 3-(4-bromophenyl)-5-[(4-methoxyphenoxy)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.010955284 u |
| Formula | C16H13BrN2O3 |
| InChI | InChI=1S/C16H13BrN2O3/c1-20-13-6-8-14(9-7-13)21-10-15-18-16(19-22-15)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3 |
| InChIKey | DGGIFGOUTAXPCU-UHFFFAOYSA-N |
| Molecular Weight | 361.195 g/mol |
| SMILES | COC=1C=CC(OCC2=NC(=NO2)C=2C=CC(=CC2)Br)=CC1 |