| SpectraBase Compound ID | CjaIz6aqmO6 |
|---|---|
| InChI | InChI=1S/C10H21NOS/c1-2-3-4-5-6-7-10(12)11-8-9-13/h13H,2-9H2,1H3,(H,11,12) |
| InChIKey | JLZORHOCSVVPHT-UHFFFAOYSA-N |
| Mol Weight | 203.34 g/mol |
| Molecular Formula | C10H21NOS |
| Exact Mass | 203.134385 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KKDcDjrBQdm |
|---|---|
| Name | Octanamide, N-(2-mercaptoethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.134385473 u |
| Formula | C10H21NOS |
| InChI | InChI=1S/C10H21NOS/c1-2-3-4-5-6-7-10(12)11-8-9-13/h13H,2-9H2,1H3,(H,11,12) |
| InChIKey | JLZORHOCSVVPHT-UHFFFAOYSA-N |
| Molecular Weight | 203.344 g/mol |
| SMILES | CCCCCCCC(=O)NCCS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96922 |