| SpectraBase Compound ID | 82GPTj6zDQU |
|---|---|
| InChI | InChI=1S/C7H15N3S/c1-10-4-2-6(3-5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11) |
| InChIKey | MSTNCTVIENDXHQ-UHFFFAOYSA-N |
| Mol Weight | 173.28 g/mol |
| Molecular Formula | C7H15N3S |
| Exact Mass | 173.098669 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | aRvT0Oo1Lw |
|---|---|
| Name | (1-Methylpiperidin-4-yl)thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.098668669 u |
| Formula | C7H15N3S |
| InChI | InChI=1S/C7H15N3S/c1-10-4-2-6(3-5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11) |
| InChIKey | MSTNCTVIENDXHQ-UHFFFAOYSA-N |
| Molecular Weight | 173.278 g/mol |
| SMILES | C(=S)(NC1CCN(CC1)C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867776 |