| SpectraBase Compound ID | 61sIdz17Nvk |
|---|---|
| InChI | InChI=1S/C10H10BrN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3 |
| InChIKey | YTUDHLARHDCOIR-UHFFFAOYSA-N |
| Mol Weight | 224.1 g/mol |
| Molecular Formula | C10H10BrN |
| Exact Mass | 222.999662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6yxJDNHqtlz |
|---|---|
| Name | 2-(2-Bromophenyl)-2-methyl-propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.999662326 u |
| Formula | C10H10BrN |
| InChI | InChI=1S/C10H10BrN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3 |
| InChIKey | YTUDHLARHDCOIR-UHFFFAOYSA-N |
| Molecular Weight | 224.101 g/mol |
| SMILES | C(#N)C(C=1C(Br)=CC=CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936184 |