| SpectraBase Compound ID | JJVBOF6mxZL |
|---|---|
| InChI | InChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3 |
| InChIKey | FGYQUFZANKOISC-UHFFFAOYSA-N |
| Mol Weight | 145.22 g/mol |
| Molecular Formula | C6H11NOS |
| Exact Mass | 145.056135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 34LNiVrlhQQ |
|---|---|
| Name | Sulforaphane nitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.056135151 u |
| Formula | C6H11NOS |
| InChI | InChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3 |
| InChIKey | FGYQUFZANKOISC-UHFFFAOYSA-N |
| Molecular Weight | 145.220 g/mol |
| SMILES | CS(CCCCC#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854245 |