| SpectraBase Compound ID | 1kI55yFyEdH |
|---|---|
| InChI | InChI=1S/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3 |
| InChIKey | ZOKYZTUQSVAKHS-UHFFFAOYSA-N |
| Mol Weight | 114.1 g/mol |
| Molecular Formula | C4H6N2O2 |
| Exact Mass | 114.042927 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FTKMCAdcIQt |
|---|---|
| Name | Cyanoimidocarbonic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.042927439 u |
| Formula | C4H6N2O2 |
| InChI | InChI=1S/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3 |
| InChIKey | ZOKYZTUQSVAKHS-UHFFFAOYSA-N |
| Molecular Weight | 114.104 g/mol |
| SMILES | COC(OC)=NC#N |
| Spectrum/Structure Validation Score (Raman) | 0.86322 |