| SpectraBase Compound ID | 77RTgozPEJT |
|---|---|
| InChI | InChI=1S/C11H15BrS/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | USWFJGWXVHQLFT-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 | HiUEqDjI3DP |
|---|---|
| Name | 2-(S-Butylthiomethyl)-1-bromobenzene |
| 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/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | USWFJGWXVHQLFT-UHFFFAOYSA-N |
| SMILES | C(SCC1=C(C=CC=C1)Br)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89403 |