| SpectraBase Compound ID | 4MotbaOa4dY |
|---|---|
| InChI | InChI=1S/C10H19NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3 |
| InChIKey | KQKRRHTVZQEXBX-UHFFFAOYSA-N |
| Mol Weight | 185.33 g/mol |
| Molecular Formula | C10H19NS |
| Exact Mass | 185.123821 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KXTP4GkvxHy |
|---|---|
| Name | Nonanenitrile, 9-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.123820790 u |
| Formula | C10H19NS |
| InChI | InChI=1S/C10H19NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3 |
| InChIKey | KQKRRHTVZQEXBX-UHFFFAOYSA-N |
| Molecular Weight | 185.329 g/mol |
| SMILES | C(CCCCC#N)CCCSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926474 |