| SpectraBase Compound ID | ECk3n8w1vK1 |
|---|---|
| InChI | InChI=1S/C7H7BrS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
| InChIKey | UJNSDLRPHRMVGZ-UHFFFAOYSA-N |
| Mol Weight | 203.1 g/mol |
| Molecular Formula | C7H7BrS |
| Exact Mass | 201.945184 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4U0HC5GnTsy |
|---|---|
| Name | 2-Bromobenzyl mercaptan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.945184399 u |
| Formula | C7H7BrS |
| InChI | InChI=1S/C7H7BrS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
| InChIKey | UJNSDLRPHRMVGZ-UHFFFAOYSA-N |
| Molecular Weight | 203.097 g/mol |
| SMILES | C(S)C1=C(C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946768 |