| SpectraBase Compound ID | F3XmdmEnTqY |
|---|---|
| InChI | InChI=1S/C8H9NO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1,9H2 |
| InChIKey | MIJGJJKVYCRQNI-UHFFFAOYSA-N |
| Mol Weight | 183.22 g/mol |
| Molecular Formula | C8H9NO2S |
| Exact Mass | 183.0354 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BvV0f5ua4Xu |
|---|---|
| Name | 4-(Vinylsulfonyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.035399706 u |
| Formula | C8H9NO2S |
| InChI | InChI=1S/C8H9NO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1,9H2 |
| InChIKey | MIJGJJKVYCRQNI-UHFFFAOYSA-N |
| Molecular Weight | 183.225 g/mol |
| SMILES | C1(N)=CC=C(C=C1)S(=O)(=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948043 |