| SpectraBase Compound ID | LCbUq6kqF5s |
|---|---|
| InChI | InChI=1S/C5H5NO2S/c7-5-4(6-3-9)1-2-8-5/h4H,1-2H2 |
| InChIKey | MSBPBCHCQJBHNC-UHFFFAOYSA-N |
| Mol Weight | 143.16 g/mol |
| Molecular Formula | C5H5NO2S |
| Exact Mass | 143.0041 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQxYLW9mmHC |
|---|---|
| Name | .alpha.-Isothiocyanato-.gamma.-butyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.004099577 u |
| Formula | C5H5NO2S |
| InChI | InChI=1S/C5H5NO2S/c7-5-4(6-3-9)1-2-8-5/h4H,1-2H2 |
| InChIKey | MSBPBCHCQJBHNC-UHFFFAOYSA-N |
| SMILES | C1(N=C=S)CCOC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801494 |