| SpectraBase Compound ID | Jab5hY8QQfn |
|---|---|
| InChI | InChI=1S/C7H10N2OS/c1-5(2)11-7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10) |
| InChIKey | AXXVQEROTLLRBU-UHFFFAOYSA-N |
| Mol Weight | 170.23 g/mol |
| Molecular Formula | C7H10N2OS |
| Exact Mass | 170.051384 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9muLqqCuhtn |
|---|---|
| Name | 2-Isopropylthiouracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.051384123 u |
| Formula | C7H10N2OS |
| InChI | InChI=1S/C7H10N2OS/c1-5(2)11-7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10) |
| InChIKey | AXXVQEROTLLRBU-UHFFFAOYSA-N |
| SMILES | C=1(NC(C=CN1)=O)SC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929293 |