| SpectraBase Compound ID | pU5PdpLAWr |
|---|---|
| InChI | InChI=1S/C11H15BrS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3 |
| InChIKey | WJAIMVMYJTYBPC-UHFFFAOYSA-N |
| Mol Weight | 259.2 g/mol |
| Molecular Formula | C11H15BrS |
| Exact Mass | 258.007785 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Ac5ZxyfLx3 |
|---|---|
| Name | 1-(Bromomethyl)-4-(tert-butylthio)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.007784657 u |
| Formula | C11H15BrS |
| InChI | InChI=1S/C11H15BrS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3 |
| InChIKey | WJAIMVMYJTYBPC-UHFFFAOYSA-N |
| SMILES | C(C=1C=CC(=CC1)SC(C)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922771 |