| SpectraBase Compound ID | HQ5Ry8UJYWz |
|---|---|
| InChI | InChI=1S/C11H21NS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-9,11H2 |
| InChIKey | PZSBXLAAEMPMMJ-UHFFFAOYSA-N |
| Mol Weight | 199.36 g/mol |
| Molecular Formula | C11H21NS |
| Exact Mass | 199.139471 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IFtYtqd7ySc |
|---|---|
| Name | Undecanenitrile, 11-mercapto- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.139470854 u |
| Formula | C11H21NS |
| InChI | InChI=1S/C11H21NS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-9,11H2 |
| InChIKey | PZSBXLAAEMPMMJ-UHFFFAOYSA-N |
| Molecular Weight | 199.356 g/mol |
| SMILES | C(#N)CCCCCCCCCCS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869688 |