| SpectraBase Compound ID | 18XHRZv3iA7 |
|---|---|
| InChI | InChI=1S/C8H17NS/c1-4-7-8(10)9(5-2)6-3/h4-7H2,1-3H3 |
| InChIKey | XSDYVJCOVSBGAP-UHFFFAOYSA-N |
| Mol Weight | 159.29 g/mol |
| Molecular Formula | C8H17NS |
| Exact Mass | 159.108171 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DeaPLZMVHTK |
|---|---|
| Name | N,N-Diethyl-butyrothioamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.108170725 u |
| Formula | C8H17NS |
| InChI | InChI=1S/C8H17NS/c1-4-7-8(10)9(5-2)6-3/h4-7H2,1-3H3 |
| InChIKey | XSDYVJCOVSBGAP-UHFFFAOYSA-N |
| Molecular Weight | 159.291 g/mol |
| SMILES | CCCC(N(CC)CC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932867 |