| SpectraBase Compound ID | 72rLZAhKPQk |
|---|---|
| InChI | InChI=1S/C10H11NS2/c12-10(11-6-7-13-8-11)9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | TWZFPVFSKVJCMF-UHFFFAOYSA-N |
| Mol Weight | 209.32 g/mol |
| Molecular Formula | C10H11NS2 |
| Exact Mass | 209.033292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LaPAHiXibA5 |
|---|---|
| Name | Thiazolidine, 3-(phenylthioxomethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.033291706 u |
| Formula | C10H11NS2 |
| InChI | InChI=1S/C10H11NS2/c12-10(11-6-7-13-8-11)9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | TWZFPVFSKVJCMF-UHFFFAOYSA-N |
| Molecular Weight | 209.325 g/mol |
| SMILES | C(N1CSCC1)(=S)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963721 |