| SpectraBase Compound ID | LCqF1UcwSnV |
|---|---|
| InChI | InChI=1S/C11H20BrN/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-10H2 |
| InChIKey | LPCZYFKPSJYXDA-UHFFFAOYSA-N |
| Mol Weight | 246.19 g/mol |
| Molecular Formula | C11H20BrN |
| Exact Mass | 245.077913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6HNaRhDQfjw |
|---|---|
| Name | Undecanenitrile, 11-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.077912648 u |
| Formula | C11H20BrN |
| InChI | InChI=1S/C11H20BrN/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-10H2 |
| InChIKey | LPCZYFKPSJYXDA-UHFFFAOYSA-N |
| Molecular Weight | 246.192 g/mol |
| SMILES | C(#N)CCCCCCCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837293 |