| SpectraBase Compound ID | czfBo1nhen |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-6-9-10(4)12(14)13(8-3)11(5)7-2/h10-11H,6-9H2,1-5H3 |
| InChIKey | JPNVNROKEMQGGK-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 | IQ0MC7Sfg41 |
|---|---|
| Name | Valeramide, 2-methyl-N-(2-butyl)-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/c1-6-9-10(4)12(14)13(8-3)11(5)7-2/h10-11H,6-9H2,1-5H3 |
| InChIKey | JPNVNROKEMQGGK-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | C(N(CC)C(CC)C)(=O)C(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917575 |