| SpectraBase Compound ID | 1hpOtsN78LB |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-4-11(5-2)9-7-6-8-10(12)13-3/h4-5H2,1-3H3 |
| InChIKey | WAZIZKUWYFUSPZ-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQB2zQx4R21 |
|---|---|
| Name | Methyl 5-diethylaminopenta-2,4-diynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-4-11(5-2)9-7-6-8-10(12)13-3/h4-5H2,1-3H3 |
| InChIKey | WAZIZKUWYFUSPZ-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C(OC)(C#CC#CN(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840955 |