| SpectraBase Compound ID | IWxovM67GZ |
|---|---|
| InChI | InChI=1S/C10H11NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h6-9H2,1H3 |
| InChIKey | PQSCQJYZZTYSNJ-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ItHHr3Ji3dF |
|---|---|
| Name | 6-Morpholino-hexa-3,5-diin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h6-9H2,1H3 |
| InChIKey | PQSCQJYZZTYSNJ-UHFFFAOYSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | C(N1CCOCC1)#CC#CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93461 |