| SpectraBase Compound ID | 7Mq4n3Y8CQz |
|---|---|
| InChI | InChI=1S/C7H13NOS/c1-2-5-10-7(6-9)3-4-8/h7,9H,2-3,5-6H2,1H3 |
| InChIKey | NRRZYKFSIPWYIH-UHFFFAOYSA-N |
| Mol Weight | 159.25 g/mol |
| Molecular Formula | C7H13NOS |
| Exact Mass | 159.071785 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8VXWqRH479V |
|---|---|
| Name | Butanenitrile, 4-hydroxy-3-(propylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.071785216 u |
| Formula | C7H13NOS |
| InChI | InChI=1S/C7H13NOS/c1-2-5-10-7(6-9)3-4-8/h7,9H,2-3,5-6H2,1H3 |
| InChIKey | NRRZYKFSIPWYIH-UHFFFAOYSA-N |
| Molecular Weight | 159.247 g/mol |
| SMILES | C(#N)CC(SCCC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849262 |