| SpectraBase Compound ID | AGtozbUclEW |
|---|---|
| InChI | InChI=1S/C9H8F2OS/c1-13-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | IBBJRVBEYCBCIV-UHFFFAOYSA-N |
| Mol Weight | 202.22 g/mol |
| Molecular Formula | C9H8F2OS |
| Exact Mass | 202.026392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FNwYxMBpAVu |
|---|---|
| Name | alpha,alpha-Difluoro-alpha-(methylthio)-acetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.026392377 u |
| Formula | C9H8F2OS |
| InChI | InChI=1S/C9H8F2OS/c1-13-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | IBBJRVBEYCBCIV-UHFFFAOYSA-N |
| Molecular Weight | 202.219 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)C(F)(F)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936075 |