| SpectraBase Compound ID | 3jCjtqXXUi |
|---|---|
| InChI | InChI=1S/C11H9NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2- |
| InChIKey | HEGNHTODZSHTKS-MBXJOHMKSA-N |
| Mol Weight | 187.2 g/mol |
| Molecular Formula | C11H9NO2 |
| Exact Mass | 187.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Brunan4YIQN |
|---|---|
| Name | 2-Phenyl-4-ethylidene-2-oxazolin-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.063328532 u |
| Formula | C11H9NO2 |
| InChI | InChI=1S/C11H9NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2- |
| InChIKey | HEGNHTODZSHTKS-MBXJOHMKSA-N |
| Molecular Weight | 187.198 g/mol |
| SMILES | C1=CC=CC(=C1)C1=N\C(C(=O)O1)=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968953 |