| SpectraBase Compound ID | LTjzHVSr2cr |
|---|---|
| InChI | InChI=1S/C7H3F5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3 |
| InChIKey | NBOZXHXBHUVRNG-UHFFFAOYSA-N |
| Mol Weight | 214.15 g/mol |
| Molecular Formula | C7H3F5S |
| Exact Mass | 213.987562 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IY8KVhYs80l |
|---|---|
| Name | Benzene, pentafluoro(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.987562086 u |
| Formula | C7H3F5S |
| InChI | InChI=1S/C7H3F5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3 |
| InChIKey | NBOZXHXBHUVRNG-UHFFFAOYSA-N |
| Molecular Weight | 214.153 g/mol |
| SMILES | CSC1=C(F)C(F)=C(C(=C1F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892608 |