| SpectraBase Compound ID | 86gdfCBAc3G |
|---|---|
| InChI | InChI=1S/C13H9BrN2O2/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16(17)18/h1-9H/b15-9+ |
| InChIKey | XLGSXVUJWBCURQ-OQLLNIDSSA-N |
| Mol Weight | 305.13 g/mol |
| Molecular Formula | C13H9BrN2O2 |
| Exact Mass | 303.984741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYF7jtZgnJe |
|---|---|
| Name | N-(2-Nitro)benzyliene-4-bromoaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.984740536 u |
| Formula | C13H9BrN2O2 |
| InChI | InChI=1S/C13H9BrN2O2/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16(17)18/h1-9H/b15-9+ |
| InChIKey | XLGSXVUJWBCURQ-OQLLNIDSSA-N |
| Molecular Weight | 305.131 g/mol |
| SMILES | C1(=C(C=CC=C1)\C=N\C1=CC=C(Br)C=C1)N(=O)=O |