| SpectraBase Compound ID | 1Yg33RnxpOk |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-6-4-3-5-8(2)7(6)9/h1,3-5H2,2H3 |
| InChIKey | NNYWTYAXHYQBND-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2dumKYXgT6J |
|---|---|
| Name | 1-Methyl-3-methylene-piperidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-6-4-3-5-8(2)7(6)9/h1,3-5H2,2H3 |
| InChIKey | NNYWTYAXHYQBND-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C1(CCCN(C1=O)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949773 |