![2-Butenal, 3-[(1-methylethylidene)amino]-](/api/spectrum/Jl1icLaHb27/structure.png?h=300&w=458 "2-Butenal, 3-[(1-methylethylidene)amino]-")
| SpectraBase Compound ID | K8mDnkDAkDJ |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-6(2)8-7(3)4-5-9/h4-5H,1-3H3/b7-4+ |
| InChIKey | KYMWEUQTCPASIG-QPJJXVBHSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jl1icLaHb27 |
|---|---|
| Name | 2-Butenal, 3-[(1-methylethylidene)amino]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-6(2)8-7(3)4-5-9/h4-5H,1-3H3/b7-4+ |
| InChIKey | KYMWEUQTCPASIG-QPJJXVBHSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C(\C=C/(N=C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918401 |