| SpectraBase Compound ID | GKqWjAE1lHq |
|---|---|
| InChI | InChI=1S/C11H19NO2/c1-2-3-7-10(13)12-9-6-4-5-8-11(12)14/h2-9H2,1H3 |
| InChIKey | QDTNLDWMQSVAMT-UHFFFAOYSA-N |
| Mol Weight | 197.28 g/mol |
| Molecular Formula | C11H19NO2 |
| Exact Mass | 197.141579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | jhLPRqJ6wO |
|---|---|
| Name | 1-Pentanoylazepan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.141578854 u |
| Formula | C11H19NO2 |
| InChI | InChI=1S/C11H19NO2/c1-2-3-7-10(13)12-9-6-4-5-8-11(12)14/h2-9H2,1H3 |
| InChIKey | QDTNLDWMQSVAMT-UHFFFAOYSA-N |
| Molecular Weight | 197.278 g/mol |
| SMILES | C1(N(CCCCC1)C(CCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904334 |