| SpectraBase Compound ID | DZvDSKjPz63 |
|---|---|
| InChI | InChI=1S/C12H11N3O2/c1-9-4-5-11(15(16)17)7-12(9)14-8-10-3-2-6-13-10/h2-8,13H,1H3/b14-8+ |
| InChIKey | HAXCXPMEINBEDH-RIYZIHGNSA-N |
| Mol Weight | 229.24 g/mol |
| Molecular Formula | C12H11N3O2 |
| Exact Mass | 229.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDFXMByYqnH |
|---|---|
| Name | Pyrrole, 2-(2-methyl-5-nitrophenyliminomethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.085126604 u |
| Formula | C12H11N3O2 |
| InChI | InChI=1S/C12H11N3O2/c1-9-4-5-11(15(16)17)7-12(9)14-8-10-3-2-6-13-10/h2-8,13H,1H3/b14-8+ |
| InChIKey | HAXCXPMEINBEDH-RIYZIHGNSA-N |
| Molecular Weight | 229.239 g/mol |
| SMILES | C1(=CC=C(C=C1\N=C\C1=CC=CN1)N(=O)=O)C |