| SpectraBase Compound ID | 6mvP7PCLmnC |
|---|---|
| InChI | InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H |
| InChIKey | OPAXHVNZGUGCKW-UHFFFAOYSA-N |
| Mol Weight | 206.18 g/mol |
| Molecular Formula | C8H5F3OS |
| Exact Mass | 206.00132 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 94WvOkqtqpc |
|---|---|
| Name | 4-(Trifluoromethylthio)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.001320443 u |
| Formula | C8H5F3OS |
| InChI | InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H |
| InChIKey | OPAXHVNZGUGCKW-UHFFFAOYSA-N |
| Molecular Weight | 206.182 g/mol |
| SMILES | C(C1=CC=C(C=C1)SC(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818898 |