| SpectraBase Compound ID | C8peo8Sa82S |
|---|---|
| InChI | InChI=1S/C12H17Br/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3 |
| InChIKey | HAIGIJCTBFVMEP-UHFFFAOYSA-N |
| Mol Weight | 241.17 g/mol |
| Molecular Formula | C12H17Br |
| Exact Mass | 240.051364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8iCKm2ezExd |
|---|---|
| Name | 2-Bromo-5-tert-butyl-1,3-dimethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.051363547 u |
| Formula | C12H17Br |
| InChI | InChI=1S/C12H17Br/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3 |
| InChIKey | HAIGIJCTBFVMEP-UHFFFAOYSA-N |
| Molecular Weight | 241.172 g/mol |
| SMILES | C1(Br)=C(C=C(C=C1C)C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908491 |