| SpectraBase Compound ID | 6NFmMwxKgpz |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-7-10(12-7)11(13)8-3-5-9(14-2)6-4-8/h3-7,10,12H,1-2H3 |
| InChIKey | CDUCYPXOTUFDTO-UHFFFAOYSA-N |
| Mol Weight | 191.23 g/mol |
| Molecular Formula | C11H13NO2 |
| Exact Mass | 191.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HsG74Sp46yu |
|---|---|
| Name | 2-(4-Methoxybenzoyl)-3-methylaziridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.094628661 u |
| Formula | C11H13NO2 |
| InChI | InChI=1S/C11H13NO2/c1-7-10(12-7)11(13)8-3-5-9(14-2)6-4-8/h3-7,10,12H,1-2H3 |
| InChIKey | CDUCYPXOTUFDTO-UHFFFAOYSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C1(NC1C)C(C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957922 |