| SpectraBase Compound ID | IqlCPrC91aD |
|---|---|
| InChI | InChI=1S/C10H13NOS/c1-13(12)8-7-11-9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3/b8-7+ |
| InChIKey | LSZCYVZSEZRLIF-BQYQJAHWSA-N |
| Mol Weight | 195.28 g/mol |
| Molecular Formula | C10H13NOS |
| Exact Mass | 195.071785 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A2tHTn1dXOL |
|---|---|
| Name | 2-Benzylamino-1-methanesulfinylethene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.071785216 u |
| Formula | C10H13NOS |
| InChI | InChI=1S/C10H13NOS/c1-13(12)8-7-11-9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3/b8-7+ |
| InChIKey | LSZCYVZSEZRLIF-BQYQJAHWSA-N |
| Molecular Weight | 195.280 g/mol |
| SMILES | CS(=O)\C=C\NCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936619 |