| SpectraBase Compound ID | Kh9fMyF4DST |
|---|---|
| InChI | InChI=1S/C14H21NO/c1-4-12(5-2)14(16)15(6-3)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3 |
| InChIKey | KJVSVFZGZXDUHU-UHFFFAOYSA-N |
| Mol Weight | 219.33 g/mol |
| Molecular Formula | C14H21NO |
| Exact Mass | 219.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G4l6gzsKhe9 |
|---|---|
| Name | N,2-Diethyl-N-phenylbutanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.162314299 u |
| Formula | C14H21NO |
| InChI | InChI=1S/C14H21NO/c1-4-12(5-2)14(16)15(6-3)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3 |
| InChIKey | KJVSVFZGZXDUHU-UHFFFAOYSA-N |
| Molecular Weight | 219.328 g/mol |
| SMILES | C(C(=O)N(C1=CC=CC=C1)CC)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937427 |