![Isoxazole, 5-[2-(3-bromophenyl)ethenyl]-3-methyl-4-nitro-](/api/spectrum/4gm4SOV9tJh/structure.png?h=300&w=458 "Isoxazole, 5-[2-(3-bromophenyl)ethenyl]-3-methyl-4-nitro-")
| SpectraBase Compound ID | KGaaO9lgi4L |
|---|---|
| InChI | InChI=1S/C12H9BrN2O3/c1-8-12(15(16)17)11(18-14-8)6-5-9-3-2-4-10(13)7-9/h2-7H,1H3/b6-5+ |
| InChIKey | GPWKZKZEYPTXBN-AATRIKPKSA-N |
| Mol Weight | 309.12 g/mol |
| Molecular Formula | C12H9BrN2O3 |
| Exact Mass | 307.979655 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 | 4gm4SOV9tJh |
|---|---|
| Name | Isoxazole, 5-[2-(3-bromophenyl)ethenyl]-3-methyl-4-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.979655155 u |
| Formula | C12H9BrN2O3 |
| InChI | InChI=1S/C12H9BrN2O3/c1-8-12(15(16)17)11(18-14-8)6-5-9-3-2-4-10(13)7-9/h2-7H,1H3/b6-5+ |
| InChIKey | GPWKZKZEYPTXBN-AATRIKPKSA-N |
| Molecular Weight | 309.119 g/mol |
| SMILES | C1(N(=O)=O)=C(ON=C1C)\C=C\C=1C=C(Br)C=CC1 |