| SpectraBase Compound ID | AQ5Qyjuneu9 |
|---|---|
| InChI | InChI=1S/C7H11NO3S/c1-3-5-12-7(10)8-6(9)11-4-2/h3H,1,4-5H2,2H3,(H,8,9,10) |
| InChIKey | LETFRABLRADYDG-UHFFFAOYSA-N |
| Mol Weight | 189.23 g/mol |
| Molecular Formula | C7H11NO3S |
| Exact Mass | 189.045964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DDSbCqAC1c1 |
|---|---|
| Name | Ethyl (allylthio)carbonylcarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.045964389 u |
| Formula | C7H11NO3S |
| InChI | InChI=1S/C7H11NO3S/c1-3-5-12-7(10)8-6(9)11-4-2/h3H,1,4-5H2,2H3,(H,8,9,10) |
| InChIKey | LETFRABLRADYDG-UHFFFAOYSA-N |
| Molecular Weight | 189.229 g/mol |
| SMILES | C(NC(=O)OCC)(=O)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946606 |