| SpectraBase Compound ID | 3bqh6jhwRtd |
|---|---|
| InChI | InChI=1S/C7H7F2NO2S/c8-7(9)13(11,12)6-4-2-1-3-5(6)10/h1-4,7H,10H2 |
| InChIKey | SNDCVGFGRZLIDQ-UHFFFAOYSA-N |
| Mol Weight | 207.19 g/mol |
| Molecular Formula | C7H7F2NO2S |
| Exact Mass | 207.016556 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GXOThh94xLN |
|---|---|
| Name | 2-(Difluoromethylsulfonyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.016555967 u |
| Formula | C7H7F2NO2S |
| InChI | InChI=1S/C7H7F2NO2S/c8-7(9)13(11,12)6-4-2-1-3-5(6)10/h1-4,7H,10H2 |
| InChIKey | SNDCVGFGRZLIDQ-UHFFFAOYSA-N |
| Molecular Weight | 207.195 g/mol |
| SMILES | C(F)(F)S(=O)(=O)C1=C(C=CC=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947272 |