| SpectraBase Compound ID | BC6bZmJH8yS |
|---|---|
| InChI | InChI=1S/C5H9NOS/c1-8(7)5-3-2-4-6/h2-3,5H2,1H3 |
| InChIKey | XCDBAGVWCGHEFB-UHFFFAOYSA-N |
| Mol Weight | 131.19 g/mol |
| Molecular Formula | C5H9NOS |
| Exact Mass | 131.040485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DT9QqiHIQnQ |
|---|---|
| Name | Cyano-3-methylsulfinylpropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.040485087 u |
| Formula | C5H9NOS |
| InChI | InChI=1S/C5H9NOS/c1-8(7)5-3-2-4-6/h2-3,5H2,1H3 |
| InChIKey | XCDBAGVWCGHEFB-UHFFFAOYSA-N |
| Molecular Weight | 131.193 g/mol |
| SMILES | CS(CCCC#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924511 |