| SpectraBase Compound ID | 5b5G9bWZNmJ |
|---|---|
| InChI | InChI=1S/C8H5F2NS/c9-8(10,12-6-11)7-4-2-1-3-5-7/h1-5H |
| InChIKey | WDHAKLHDBXDOOT-UHFFFAOYSA-N |
| Mol Weight | 185.19 g/mol |
| Molecular Formula | C8H5F2NS |
| Exact Mass | 185.011077 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G01ltlx2YAI |
|---|---|
| Name | (Difluoro-thiocyanatomethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.011076665 u |
| Formula | C8H5F2NS |
| InChI | InChI=1S/C8H5F2NS/c9-8(10,12-6-11)7-4-2-1-3-5-7/h1-5H |
| InChIKey | WDHAKLHDBXDOOT-UHFFFAOYSA-N |
| Molecular Weight | 185.192 g/mol |
| SMILES | C(#N)SC(C=1C=CC=CC1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923026 |