| SpectraBase Compound ID | CUz0HErrQBh |
|---|---|
| InChI | InChI=1S/C12H17Br/c1-4-9-12(2,3)10-5-7-11(13)8-6-10/h5-8H,4,9H2,1-3H3 |
| InChIKey | XWQPGZJMFXMIGK-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 | JA0kLVFeUDx |
|---|---|
| Name | 1-Bromo-4-(1,1-dimethylbutyl)benzene |
| 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/c1-4-9-12(2,3)10-5-7-11(13)8-6-10/h5-8H,4,9H2,1-3H3 |
| InChIKey | XWQPGZJMFXMIGK-UHFFFAOYSA-N |
| Molecular Weight | 241.172 g/mol |
| SMILES | C=1(C=CC(=CC1)C(CCC)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875772 |