| SpectraBase Compound ID | 6fvuW1KvpcA |
|---|---|
| InChI | InChI=1S/C12H11F2NO2S/c1-2-9(15-7-18)5-8-3-4-10-11(6-8)17-12(13,14)16-10/h3-4,6,9H,2,5H2,1H3 |
| InChIKey | HBZHTCSHXOXIPL-UHFFFAOYSA-N |
| Mol Weight | 271.28 g/mol |
| Molecular Formula | C12H11F2NO2S |
| Exact Mass | 271.047856 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LbP9EO2kdc0 |
|---|---|
| Name | Dfbdb CS2 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.047856096 u |
| Formula | C12H11F2NO2S |
| InChI | InChI=1S/C12H11F2NO2S/c1-2-9(15-7-18)5-8-3-4-10-11(6-8)17-12(13,14)16-10/h3-4,6,9H,2,5H2,1H3 |
| InChIKey | HBZHTCSHXOXIPL-UHFFFAOYSA-N |
| Molecular Weight | 271.282 g/mol |
| SMILES | C1(OC2=C(O1)C=CC(=C2)CC(N=C=S)CC)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951768 |