| SpectraBase Compound ID | 35Cb5LMGrlt |
|---|---|
| InChI | InChI=1S/C12H13BrN2O/c1-2-3-7-11-14-15-12(16-11)9-5-4-6-10(13)8-9/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | CHTQDKHZZYNJKP-UHFFFAOYSA-N |
| Mol Weight | 281.15 g/mol |
| Molecular Formula | C12H13BrN2O |
| Exact Mass | 280.021126 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 | I3zIvDnCsi1 |
|---|---|
| Name | 2-(3-Bromophenyl)-5-butyl-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.021126046 u |
| Formula | C12H13BrN2O |
| InChI | InChI=1S/C12H13BrN2O/c1-2-3-7-11-14-15-12(16-11)9-5-4-6-10(13)8-9/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | CHTQDKHZZYNJKP-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC(=CC=C1)C1=NN=C(O1)CCCC |