| SpectraBase Compound ID | JHqn6Al6prY |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-2-10-8-13(9-10)12(14)11-6-4-3-5-7-11/h2-7H,8-9H2,1H3 |
| InChIKey | VYOKNEQMKXADEG-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 | 5KkdKBKqbLR |
|---|---|
| Name | (3-Ethylidene-1-azetidinyl)-phenylmethanone |
| 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/c1-2-10-8-13(9-10)12(14)11-6-4-3-5-7-11/h2-7H,8-9H2,1H3 |
| InChIKey | VYOKNEQMKXADEG-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C(N1CC(C1)=CC)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87573 |