![2-[(Z)-2-methylsulfinylvinyl]aniline](/api/spectrum/I26wI8u2hi7/structure.png?h=300&w=458 "2-[(Z)-2-methylsulfinylvinyl]aniline")
| SpectraBase Compound ID | 6f1eqKKgXop |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-12(11)7-6-8-4-2-3-5-9(8)10/h2-7H,10H2,1H3/b7-6- |
| InChIKey | CYJVNMVGSCEDFQ-SREVYHEPSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I26wI8u2hi7 |
|---|---|
| Name | 2-[(Z)-2-Methylsulfinylvinyl]aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.056135151 u |
| Formula | C9H11NOS |
| InChI | InChI=1S/C9H11NOS/c1-12(11)7-6-8-4-2-3-5-9(8)10/h2-7H,10H2,1H3/b7-6- |
| InChIKey | CYJVNMVGSCEDFQ-SREVYHEPSA-N |
| Molecular Weight | 181.253 g/mol |
| SMILES | CS(\C=C/C=1C(N)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945485 |