| SpectraBase Compound ID | CfEp9l2A2uU |
|---|---|
| InChI | InChI=1S/C14H21NO/c1-4-7-12-8-10-13(11-9-12)14(16)15(5-2)6-3/h8-11H,4-7H2,1-3H3 |
| InChIKey | KBXIHGYHDGTQGE-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 | F8yBZwVAkTS |
|---|---|
| Name | N,N-Diethyl-4-propylbenzamide |
| 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/c1-4-7-12-8-10-13(11-9-12)14(16)15(5-2)6-3/h8-11H,4-7H2,1-3H3 |
| InChIKey | KBXIHGYHDGTQGE-UHFFFAOYSA-N |
| Molecular Weight | 219.328 g/mol |
| SMILES | C1(C(N(CC)CC)=O)=CC=C(C=C1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961482 |