| SpectraBase Compound ID | RYja1S9nWI |
|---|---|
| InChI | InChI=1S/C8H14N2S/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,1-4H3 |
| InChIKey | QNVJQNFAYZDSCM-UHFFFAOYSA-N |
| Mol Weight | 170.27 g/mol |
| Molecular Formula | C8H14N2S |
| Exact Mass | 170.08777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IvK3uzPSush |
|---|---|
| Name | 1-Cyano-N,N-di(propan-2-yl)methanethioamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.087769633 u |
| Formula | C8H14N2S |
| InChI | InChI=1S/C8H14N2S/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,1-4H3 |
| InChIKey | QNVJQNFAYZDSCM-UHFFFAOYSA-N |
| Molecular Weight | 170.274 g/mol |
| SMILES | C(N(C(C)C)C(C)C)(=S)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827302 |