![N-[2-Cyanoethyl]-2-mercapto-2-methylpropanamine](/api/spectrum/3cNRxHhxOfj/structure.png?h=300&w=458 "N-[2-Cyanoethyl]-2-mercapto-2-methylpropanamine")
| SpectraBase Compound ID | FMQAwLI9VBK |
|---|---|
| InChI | InChI=1S/C7H14N2S/c1-7(2,10)6-9-5-3-4-8/h9-10H,3,5-6H2,1-2H3 |
| InChIKey | ABGXWHKSWIRGIT-UHFFFAOYSA-N |
| Mol Weight | 158.26 g/mol |
| Molecular Formula | C7H14N2S |
| Exact Mass | 158.08777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3cNRxHhxOfj |
|---|---|
| Name | N-[2-Cyanoethyl]-2-mercapto-2-methylpropanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.087769633 u |
| Formula | C7H14N2S |
| InChI | InChI=1S/C7H14N2S/c1-7(2,10)6-9-5-3-4-8/h9-10H,3,5-6H2,1-2H3 |
| InChIKey | ABGXWHKSWIRGIT-UHFFFAOYSA-N |
| Molecular Weight | 158.263 g/mol |
| SMILES | C(S)(CNCCC#N)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961484 |