SpectraBase Compound ID | 3rz7So0dLX9 |
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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 |
SpectraBase Spectrum ID | EwkaxpZMrXp |
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Name | Adeptolon-m (N-dealkyl-) P667 |
Comments | Computed using SmartSpectra Model v1.42 |
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 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940948 |