| SpectraBase Compound ID | 2jKnapf5C5T |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-4-7-8(10)9(5-2)6-3/h5-6H2,1-3H3 |
| InChIKey | SLEPFCXDTLQPJB-UHFFFAOYSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2HW3snAhe91 |
|---|---|
| Name | N,N-Diethyl-2-butynamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.099714042 u |
| Formula | C8H13NO |
| InChI | InChI=1S/C8H13NO/c1-4-7-8(10)9(5-2)6-3/h5-6H2,1-3H3 |
| InChIKey | SLEPFCXDTLQPJB-UHFFFAOYSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | C(C#CC)(N(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908531 |