| SpectraBase Compound ID | LVnQvsRmb6u |
|---|---|
| InChI | InChI=1S/C10H11BrOS/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5,7H,2,6H2,1H3 |
| InChIKey | OUSHGUXHKZFEND-UHFFFAOYSA-N |
| Mol Weight | 259.16 g/mol |
| Molecular Formula | C10H11BrOS |
| Exact Mass | 257.971399 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JAkhmrZ5jlc |
|---|---|
| Name | 2-Bromo-3-propylthiobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.971399147 u |
| Formula | C10H11BrOS |
| InChI | InChI=1S/C10H11BrOS/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5,7H,2,6H2,1H3 |
| InChIKey | OUSHGUXHKZFEND-UHFFFAOYSA-N |
| Molecular Weight | 259.161 g/mol |
| SMILES | C=1(C(C=O)=CC=CC1SCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94553 |