![2-Propenenitrile, 3-[(3-mercaptopropyl)thio]-, (Z)-](/api/spectrum/LIK3BxIY9kg/structure.png?h=300&w=458 "2-Propenenitrile, 3-[(3-mercaptopropyl)thio]-, (Z)-")
| SpectraBase Compound ID | 5mXo12eTduw |
|---|---|
| InChI | InChI=1S/C6H9NS2/c7-3-1-5-9-6-2-4-8/h1,5,8H,2,4,6H2/b5-1- |
| InChIKey | SUUQWDHJXXQDLY-KTAJNNJTSA-N |
| Mol Weight | 159.26 g/mol |
| Molecular Formula | C6H9NS2 |
| Exact Mass | 159.017642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LIK3BxIY9kg |
|---|---|
| Name | 2-Propenenitrile, 3-[(3-mercaptopropyl)thio]-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.017641642 u |
| Formula | C6H9NS2 |
| InChI | InChI=1S/C6H9NS2/c7-3-1-5-9-6-2-4-8/h1,5,8H,2,4,6H2/b5-1- |
| InChIKey | SUUQWDHJXXQDLY-KTAJNNJTSA-N |
| SMILES | C(#N)\C=C/SCCCS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823023 |