| SpectraBase Compound ID | 28PMOapsrcf |
|---|---|
| InChI | InChI=1S/C9H18N2O/c1-2-3-4-9(12)11-7-5-10-6-8-11/h10H,2-8H2,1H3 |
| InChIKey | ANEMDFCFHXKSHF-UHFFFAOYSA-N |
| Mol Weight | 170.26 g/mol |
| Molecular Formula | C9H18N2O |
| Exact Mass | 170.141913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | QDqOc4HORr |
|---|---|
| Name | 1-(Piperazin-1-yl)pentan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.141913207 u |
| Formula | C9H18N2O |
| InChI | InChI=1S/C9H18N2O/c1-2-3-4-9(12)11-7-5-10-6-8-11/h10H,2-8H2,1H3 |
| InChIKey | ANEMDFCFHXKSHF-UHFFFAOYSA-N |
| Molecular Weight | 170.256 g/mol |
| SMILES | C(N1CCNCC1)(=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905173 |