| SpectraBase Compound ID | 6FqAQtl6DkB |
|---|---|
| InChI | InChI=1S/C11H11NO2/c12-10-6-2-1-5-9(10)11(14)7-3-4-8-13/h1-3,5-8H,4,12H2/b7-3+ |
| InChIKey | QSWMGMOJHQMOIZ-XVNBXDOJSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F251z4bKnbL |
|---|---|
| Name | 4-(2'-Aminobenzoyl)but-3-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c12-10-6-2-1-5-9(10)11(14)7-3-4-8-13/h1-3,5-8H,4,12H2/b7-3+ |
| InChIKey | QSWMGMOJHQMOIZ-XVNBXDOJSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C=1(C(\C=C\CC=O)=O)C(N)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89009 |