| SpectraBase Compound ID | LO47k9IjoPL |
|---|---|
| InChI | InChI=1S/C8H12N2O2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12) |
| InChIKey | XSYROVOMEUABKH-UHFFFAOYSA-N |
| Mol Weight | 168.2 g/mol |
| Molecular Formula | C8H12N2O2 |
| Exact Mass | 168.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5n4HM60ZaJB |
|---|---|
| Name | Oxalic acid, diamide, N,N'-diallyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.089877632 u |
| Formula | C8H12N2O2 |
| InChI | InChI=1S/C8H12N2O2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12) |
| InChIKey | XSYROVOMEUABKH-UHFFFAOYSA-N |
| Molecular Weight | 168.196 g/mol |
| SMILES | C(C(NCC=C)=O)(=O)NCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941694 |