| SpectraBase Compound ID | 7nfUB8vySy |
|---|---|
| InChI | InChI=1S/C5H9NS/c1-5(2,4-6)7-3/h1-3H3 |
| InChIKey | BCTCSDKMQQXRKZ-UHFFFAOYSA-N |
| Mol Weight | 115.19 g/mol |
| Molecular Formula | C5H9NS |
| Exact Mass | 115.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1HTBsCVAnH2 |
|---|---|
| Name | Aldicarb nitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.045570468 u |
| Formula | C5H9NS |
| InChI | InChI=1S/C5H9NS/c1-5(2,4-6)7-3/h1-3H3 |
| InChIKey | BCTCSDKMQQXRKZ-UHFFFAOYSA-N |
| Molecular Weight | 115.194 g/mol |
| SMILES | C(C(C)(SC)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970249 |