| SpectraBase Compound ID | EysEKGdgjYS |
|---|---|
| InChI | InChI=1S/C9H9NO2/c11-7-3-1-2-4-10-5-8-12-9-6-10/h7H,5-6,8-9H2 |
| InChIKey | GGFLUTMTAUMRMQ-UHFFFAOYSA-N |
| Mol Weight | 163.18 g/mol |
| Molecular Formula | C9H9NO2 |
| Exact Mass | 163.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | udmgU66Ka7 |
|---|---|
| Name | 5-Morpholin-4-ylpenta-2,4-diynal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.063328532 u |
| Formula | C9H9NO2 |
| InChI | InChI=1S/C9H9NO2/c11-7-3-1-2-4-10-5-8-12-9-6-10/h7H,5-6,8-9H2 |
| InChIKey | GGFLUTMTAUMRMQ-UHFFFAOYSA-N |
| Molecular Weight | 163.176 g/mol |
| SMILES | C(=O)C#CC#CN1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836253 |