| SpectraBase Compound ID | Bwvw2W4B0AG |
|---|---|
| InChI | InChI=1S/C10H13Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3 |
| InChIKey | FDXXHPYFJDKWJS-UHFFFAOYSA-N |
| Mol Weight | 213.12 g/mol |
| Molecular Formula | C10H13Br |
| Exact Mass | 212.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1DcvPBEjIaQ |
|---|---|
| Name | 3-Tert-butylbromobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.020063419 u |
| Formula | C10H13Br |
| InChI | InChI=1S/C10H13Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3 |
| InChIKey | FDXXHPYFJDKWJS-UHFFFAOYSA-N |
| Molecular Weight | 213.118 g/mol |
| SMILES | C1(=CC(=CC=C1)Br)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920718 |