| SpectraBase Compound ID | Gc7JHNhcdsD |
|---|---|
| InChI | InChI=1S/C5F6OS2/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1 |
| InChIKey | DNXOMGSWTDDKSC-UHFFFAOYSA-N |
| Mol Weight | 254.16 g/mol |
| Molecular Formula | C5F6OS2 |
| Exact Mass | 253.929476 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B5UYiepX6lu |
|---|---|
| Name | 4,5-bis(Trifluoromethyl)-1,3-dithiacyclopent-4-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.929475945 u |
| Formula | C5F6OS2 |
| InChI | InChI=1S/C5F6OS2/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1 |
| InChIKey | DNXOMGSWTDDKSC-UHFFFAOYSA-N |
| Molecular Weight | 254.164 g/mol |
| SMILES | C1(=C(SC(S1)=O)C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935287 |