| SpectraBase Compound ID | 1IIiKGxcO6Q |
|---|---|
| InChI | InChI=1S/C6H8N2O2/c1-4(8)5(3-7)6(9)10-2/h8H2,1-2H3/b5-4- |
| InChIKey | VQWOLBQHRRRDNC-PLNGDYQASA-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 | EKzgkLDgk4f |
|---|---|
| Name | (Z)-3-Amino-2-cyano-2-butenoic acid methyl ester |
| 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/c1-4(8)5(3-7)6(9)10-2/h8H2,1-2H3/b5-4- |
| InChIKey | VQWOLBQHRRRDNC-PLNGDYQASA-N |
| SMILES | C(\C(=C\(C)N)C#N)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84824 |