| SpectraBase Compound ID | Knd7VMOD9y9 |
|---|---|
| InChI | InChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8) |
| InChIKey | ZLPORNPZJNRGCO-UHFFFAOYSA-N |
| Mol Weight | 111.1 g/mol |
| Molecular Formula | C5H5NO2 |
| Exact Mass | 111.032028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HBJIf9DEzqe |
|---|---|
| Name | Citraconimide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.032028403 u |
| Formula | C5H5NO2 |
| InChI | InChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8) |
| InChIKey | ZLPORNPZJNRGCO-UHFFFAOYSA-N |
| Molecular Weight | 111.100 g/mol |
| SMILES | C1(=O)NC(C(=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961571 |