| SpectraBase Compound ID | ETNvEFbsdBD |
|---|---|
| InChI | InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3 |
| InChIKey | LNWWQYYLZVZXKS-UHFFFAOYSA-N |
| Mol Weight | 113.16 g/mol |
| Molecular Formula | C6H11NO |
| Exact Mass | 113.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2zZV95yXFMg |
|---|---|
| Name | Methyl 1-pyrrolidinyl ketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.084063977 u |
| Formula | C6H11NO |
| InChI | InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3 |
| InChIKey | LNWWQYYLZVZXKS-UHFFFAOYSA-N |
| Molecular Weight | 113.160 g/mol |
| SMILES | C1N(CCC1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970307 |