| SpectraBase Compound ID | 90ZQDGdfvn0 |
|---|---|
| InChI | InChI=1S/C12H9BrN2O4/c1-7-6-8(15(17)18)2-3-9(7)14-12(16)10-4-5-11(13)19-10/h2-6H,1H3,(H,14,16) |
| InChIKey | LFLNIQHNOVVKNU-UHFFFAOYSA-N |
| Mol Weight | 325.12 g/mol |
| Molecular Formula | C12H9BrN2O4 |
| Exact Mass | 323.97457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsOGm1QytQm |
|---|---|
| Name | N-(5-Bromo-2-furylcarbonyl)-2-methyl-4-nitroaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.974569774 u |
| Formula | C12H9BrN2O4 |
| InChI | InChI=1S/C12H9BrN2O4/c1-7-6-8(15(17)18)2-3-9(7)14-12(16)10-4-5-11(13)19-10/h2-6H,1H3,(H,14,16) |
| InChIKey | LFLNIQHNOVVKNU-UHFFFAOYSA-N |
| Molecular Weight | 325.118 g/mol |
| SMILES | N(C(C=1OC(Br)=CC1)=O)c1ccc(N(=O)=O)cc1C |