| SpectraBase Compound ID | 2rkdAA6fueB |
|---|---|
| InChI | InChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15) |
| InChIKey | YTMVOQHVLQJLML-UHFFFAOYSA-N |
| Mol Weight | 220.25 g/mol |
| Molecular Formula | C10H8N2O2S |
| Exact Mass | 220.030649 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9RmRgwCdfVX |
|---|---|
| Name | Hydantoin, 1-benzoyl-2-thio- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.030648678 u |
| Formula | C10H8N2O2S |
| InChI | InChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15) |
| InChIKey | YTMVOQHVLQJLML-UHFFFAOYSA-N |
| Molecular Weight | 220.246 g/mol |
| SMILES | C1N(C(=S)NC1=O)C(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893062 |