| SpectraBase Compound ID | 4Bsb2qi1Arn |
|---|---|
| InChI | InChI=1S/C7H15BrOS/c8-4-2-1-3-6-10-7-5-9/h9H,1-7H2 |
| InChIKey | QEMIRMVDCXWUQA-UHFFFAOYSA-N |
| Mol Weight | 227.16 g/mol |
| Molecular Formula | C7H15BrOS |
| Exact Mass | 226.002699 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HOUBBlNLIk |
|---|---|
| Name | 2-Hydroxy ethyl-5-bromo amyl thioether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.002699276 u |
| Formula | C7H15BrOS |
| InChI | InChI=1S/C7H15BrOS/c8-4-2-1-3-6-10-7-5-9/h9H,1-7H2 |
| InChIKey | QEMIRMVDCXWUQA-UHFFFAOYSA-N |
| Molecular Weight | 227.160 g/mol |
| SMILES | C(O)CSCCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961441 |