| SpectraBase Compound ID | 1DlLV9ey5q2 |
|---|---|
| InChI | InChI=1S/C6H8N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H,(H2,7,9)(H2,8,10)/b3-1+,4-2+ |
| InChIKey | MABVABFBWKQILU-ZPUQHVIOSA-N |
| Mol Weight | 140.14 g/mol |
| Molecular Formula | C6H8N2O2 |
| Exact Mass | 140.058578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8xaHYjOoMSl |
|---|---|
| Name | Muconic acid, diamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.058577504 u |
| Formula | C6H8N2O2 |
| InChI | InChI=1S/C6H8N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H,(H2,7,9)(H2,8,10)/b3-1+,4-2+ |
| InChIKey | MABVABFBWKQILU-ZPUQHVIOSA-N |
| Molecular Weight | 140.142 g/mol |
| SMILES | NC(\C=C\C=C\C(=O)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971245 |