| SpectraBase Compound ID | 2FQlve3UEjp |
|---|---|
| InChI | InChI=1S/C11H12BrN/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h1-4H3 |
| InChIKey | WAMADLQGDGJCLT-UHFFFAOYSA-N |
| Mol Weight | 238.13 g/mol |
| Molecular Formula | C11H12BrN |
| Exact Mass | 237.015312 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I6j6VfOvNlE |
|---|---|
| Name | 4-Bromo-2,3,5,6-tetramethylbenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.015312390 u |
| Formula | C11H12BrN |
| InChI | InChI=1S/C11H12BrN/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h1-4H3 |
| InChIKey | WAMADLQGDGJCLT-UHFFFAOYSA-N |
| Molecular Weight | 238.128 g/mol |
| SMILES | C(C=1C(=C(C(=C(C1C)C)Br)C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936536 |