| SpectraBase Compound ID | A2nnhVY2TdH |
|---|---|
| InChI | InChI=1S/C11H11NO2S/c1-15-9-7-10(13)12(11(9)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
| InChIKey | SQCQAFOQEQQUCM-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 | XuzAf9al3K |
|---|---|
| Name | N-Phenyl-2-methylthiosuccinimide |
| 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/c1-15-9-7-10(13)12(11(9)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
| InChIKey | SQCQAFOQEQQUCM-UHFFFAOYSA-N |
| Molecular Weight | 221.274 g/mol |
| SMILES | C1(N(C(C(C1)SC)=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908162 |