SpectraBase Compound ID | 1fDdR8tZd3V |
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InChI | InChI=1S/C4H8N2OS/c1-3(7)6-4(8)5-2/h1-2H3,(H2,5,6,7,8) |
InChIKey | VVXPTPQAHRALFQ-UHFFFAOYSA-N |
Mol Weight | 132.18 g/mol |
Molecular Formula | C4H8N2OS |
Exact Mass | 132.035734 g/mol |
SpectraBase Spectrum ID | 8MLMCg8ejyy |
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Name | N-Methyl-N'-acetylthiourea |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 132.035734059 u |
Formula | C4H8N2OS |
InChI | InChI=1S/C4H8N2OS/c1-3(7)6-4(8)5-2/h1-2H3,(H2,5,6,7,8) |
InChIKey | VVXPTPQAHRALFQ-UHFFFAOYSA-N |
Molecular Weight | 132.181 g/mol |
SMILES | CNC(=S)NC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827317 |