| SpectraBase Compound ID | 3rz7So0dLX9 |
|---|---|
| InChI | InChI=1S/C12H11BrN2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15) |
| InChIKey | MBJGVIVWYUXRQP-UHFFFAOYSA-N |
| Mol Weight | 263.14 g/mol |
| Molecular Formula | C12H11BrN2 |
| Exact Mass | 262.010561 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5R9jdQjrMKn |
|---|---|
| Name | Adeptolon-m (N-dealkyl-) P667 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.010561362 u |
| Formula | C12H11BrN2 |
| InChI | InChI=1S/C12H11BrN2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15) |
| InChIKey | MBJGVIVWYUXRQP-UHFFFAOYSA-N |
| SMILES | C=1(C=CC(=CC1)CNC1=NC=CC=C1)Br |