| SpectraBase Compound ID | HKBiEVXV9YV |
|---|---|
| InChI | InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8) |
| InChIKey | JBTGHKUTYAMZEZ-UHFFFAOYSA-N |
| Mol Weight | 112.09 g/mol |
| Molecular Formula | C4H4N2O2 |
| Exact Mass | 112.027277 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DW2lG0QyTS8 |
|---|---|
| Name | Acetylene dicarboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.027277375 u |
| Formula | C4H4N2O2 |
| InChI | InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8) |
| InChIKey | JBTGHKUTYAMZEZ-UHFFFAOYSA-N |
| Molecular Weight | 112.088 g/mol |
| SMILES | C(=O)(C#CC(N)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825256 |