| SpectraBase Compound ID | 4ZpmM7iKBjO |
|---|---|
| InChI | InChI=1S/C12H12N4/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12/h3-7H,1-2H3,(H,13,14) |
| InChIKey | RUGYNGIMTAFTLP-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C12H12N4 |
| Exact Mass | 212.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSSnmX3uIGV |
|---|---|
| Name | Rabenzazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.106196402 u |
| Formula | C12H12N4 |
| InChI | InChI=1S/C12H12N4/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12/h3-7H,1-2H3,(H,13,14) |
| InChIKey | RUGYNGIMTAFTLP-UHFFFAOYSA-N |
| Molecular Weight | 212.256 g/mol |
| SMILES | C1=CC=2NC(=NC2C=C1)N1C(=CC(=N1)C)C |