| SpectraBase Compound ID | 3TTrwjzrrB6 |
|---|---|
| InChI | InChI=1S/C7H13NOS/c1-10-7(9)8-5-3-2-4-6-8/h2-6H2,1H3 |
| InChIKey | UGXAFPLXOSEFRX-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 | LbGpOH3ycMc |
|---|---|
| Name | S-Methyl 1-piperidinecarbothioate |
| 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/c1-10-7(9)8-5-3-2-4-6-8/h2-6H2,1H3 |
| InChIKey | UGXAFPLXOSEFRX-UHFFFAOYSA-N |
| Molecular Weight | 159.247 g/mol |
| SMILES | CSC(=O)N1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976989 |