![4'-[(difluoromethyl)thio]acetanilide](/api/spectrum/4UMVfhoI9JX/structure.png?h=300&w=458 "4'-[(difluoromethyl)thio]acetanilide")
| SpectraBase Compound ID | 2mP3q1ECF4L |
|---|---|
| InChI | InChI=1S/C9H9F2NOS/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13) |
| InChIKey | BNRKNBBWYHACKK-UHFFFAOYSA-N |
| Mol Weight | 217.23 g/mol |
| Molecular Formula | C9H9F2NOS |
| Exact Mass | 217.037291 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4UMVfhoI9JX |
|---|---|
| Name | 4'-[(difluoromethyl)thio]acetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.037291413 u |
| Formula | C9H9F2NOS |
| InChI | InChI=1S/C9H9F2NOS/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13) |
| InChIKey | BNRKNBBWYHACKK-UHFFFAOYSA-N |
| Molecular Weight | 217.234 g/mol |
| SMILES | N(C1=CC=C(C=C1)SC(F)F)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941533 |