| SpectraBase Compound ID | 3ckO6eezN6r |
|---|---|
| InChI | InChI=1S/C6H13NS/c1-4-6(8)7-5(2)3/h5H,4H2,1-3H3,(H,7,8) |
| InChIKey | AWVPOQPPLQEDPA-UHFFFAOYSA-N |
| Mol Weight | 131.24 g/mol |
| Molecular Formula | C6H13NS |
| Exact Mass | 131.076871 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JGV5Zr7XnzQ |
|---|---|
| Name | N-Isopropyl-thiopropionamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.076870597 u |
| Formula | C6H13NS |
| InChI | InChI=1S/C6H13NS/c1-4-6(8)7-5(2)3/h5H,4H2,1-3H3,(H,7,8) |
| InChIKey | AWVPOQPPLQEDPA-UHFFFAOYSA-N |
| SMILES | C(NC(C)C)(CC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913131 |