| SpectraBase Compound ID | IzeyrJufA2L |
|---|---|
| InChI | InChI=1S/C8H12N2OS/c1-5(2)12-7-4-6(3)9-8(11)10-7/h4-5H,1-3H3,(H,9,10,11) |
| InChIKey | HVEITTVKWNQLJQ-UHFFFAOYSA-N |
| Mol Weight | 184.26 g/mol |
| Molecular Formula | C8H12N2OS |
| Exact Mass | 184.067034 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2D60tImivQA |
|---|---|
| Name | 4-Isopropyl-6-methylthiouracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.067034187 u |
| Formula | C8H12N2OS |
| InChI | InChI=1S/C8H12N2OS/c1-5(2)12-7-4-6(3)9-8(11)10-7/h4-5H,1-3H3,(H,9,10,11) |
| InChIKey | HVEITTVKWNQLJQ-UHFFFAOYSA-N |
| Molecular Weight | 184.257 g/mol |
| SMILES | C1(N=C(C=C(N1)C)SC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829178 |