| SpectraBase Compound ID | E0W3lknqTt7 |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-5-7-8-12(14)13(9-6-2)10-11(3)4/h11H,5-10H2,1-4H3 |
| InChIKey | AMZKZZYHAZANKA-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 | 4YJYGZvkKHe |
|---|---|
| Name | Valeramide, N-propyl-N-isobutyl- |
| 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/c1-5-7-8-12(14)13(9-6-2)10-11(3)4/h11H,5-10H2,1-4H3 |
| InChIKey | AMZKZZYHAZANKA-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | C(=O)(N(CCC)CC(C)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921893 |