![1-[1-(Methylthio)ethyl]isatine](/api/spectrum/8YIcht4OOqI/structure.png?h=300&w=458 "1-[1-(Methylthio)ethyl]isatine")
| SpectraBase Compound ID | whXRaWW9l5 |
|---|---|
| InChI | InChI=1S/C11H11NO2S/c1-7(15-2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3 |
| InChIKey | HHYOXADFENDRSL-UHFFFAOYSA-N |
| Mol Weight | 221.27 g/mol |
| Molecular Formula | C11H11NO2S |
| Exact Mass | 221.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8YIcht4OOqI |
|---|---|
| Name | 1-[1-(Methylthio)ethyl]isatine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.051049770 u |
| Formula | C11H11NO2S |
| InChI | InChI=1S/C11H11NO2S/c1-7(15-2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3 |
| InChIKey | HHYOXADFENDRSL-UHFFFAOYSA-N |
| Molecular Weight | 221.274 g/mol |
| SMILES | C1(N(C2=C(C1=O)C=CC=C2)C(SC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900562 |