| SpectraBase Compound ID | 487WpMJIlx4 |
|---|---|
| InChI | InChI=1S/C7H8N2O3S/c1-12-6(11)4-13-7-8-3-2-5(10)9-7/h2-3H,4H2,1H3,(H,8,9,10) |
| InChIKey | DMMZJYXYECJOTJ-UHFFFAOYSA-N |
| Mol Weight | 200.21 g/mol |
| Molecular Formula | C7H8N2O3S |
| Exact Mass | 200.025563 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5X2CnYUw2iV |
|---|---|
| Name | 2-Methoxycarbonylmethylenethiouracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.025563297 u |
| Formula | C7H8N2O3S |
| InChI | InChI=1S/C7H8N2O3S/c1-12-6(11)4-13-7-8-3-2-5(10)9-7/h2-3H,4H2,1H3,(H,8,9,10) |
| InChIKey | DMMZJYXYECJOTJ-UHFFFAOYSA-N |
| SMILES | C1=CN=C(NC1=O)SCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941843 |