| SpectraBase Compound ID | DpYNGvw6kGP |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-5-8-10-12(14)13(7-3)11(4)9-6-2/h11H,5-10H2,1-4H3 |
| InChIKey | MPYRKKRMJFBDMA-UHFFFAOYSA-N |
| Mol Weight | 199.34 g/mol |
| Molecular Formula | C12H25NO |
| Exact Mass | 199.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 72381xAeAtV |
|---|---|
| Name | Valeramide, N-(2-pentyl)-N-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.193614428 u |
| Formula | C12H25NO |
| InChI | InChI=1S/C12H25NO/c1-5-8-10-12(14)13(7-3)11(4)9-6-2/h11H,5-10H2,1-4H3 |
| InChIKey | MPYRKKRMJFBDMA-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | C(N(CC)C(CCC)C)(=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87049 |