| SpectraBase Compound ID | JNc2bWFQ6Jt |
|---|---|
| InChI | InChI=1S/C5H7NO2S2/c1-8-4(7)3-2-10-5(9)6-3/h3H,2H2,1H3,(H,6,9) |
| InChIKey | FXMIVTSGXNTPTC-UHFFFAOYSA-N |
| Mol Weight | 177.24 g/mol |
| Molecular Formula | C5H7NO2S2 |
| Exact Mass | 176.991821 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KNVH97B4Zdn |
|---|---|
| Name | Thiazole, 2-thio-4-methoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.991820815 u |
| Formula | C5H7NO2S2 |
| InChI | InChI=1S/C5H7NO2S2/c1-8-4(7)3-2-10-5(9)6-3/h3H,2H2,1H3,(H,6,9) |
| InChIKey | FXMIVTSGXNTPTC-UHFFFAOYSA-N |
| SMILES | C1(CSC(N1)=S)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854224 |