| SpectraBase Compound ID | CY97y7och9q |
|---|---|
| InChI | InChI=1S/C7H13NOS/c1-3-9-6-7(5-8)10-4-2/h7H,3-4,6H2,1-2H3 |
| InChIKey | JXKKBQRWDUAWQI-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 | EJnPlsmW4EQ |
|---|---|
| Name | 2-Thioethyl (1'-ethoxy)propionitrile |
| 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/c1-3-9-6-7(5-8)10-4-2/h7H,3-4,6H2,1-2H3 |
| InChIKey | JXKKBQRWDUAWQI-UHFFFAOYSA-N |
| Molecular Weight | 159.247 g/mol |
| SMILES | C(#N)C(SCC)COCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955883 |