| SpectraBase Compound ID | JbLPPYsaXBS |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-2-11-9-13(12(11)14)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2 |
| InChIKey | ACHQHJPUVPTOIS-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HDRfrlL5kNL |
|---|---|
| Name | 1-Benzyl-3-ethenylazetidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-2-11-9-13(12(11)14)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2 |
| InChIKey | ACHQHJPUVPTOIS-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C1(N(CC1C=C)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931353 |