| SpectraBase Compound ID | 1hqOIKXKNcs |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-5-7-11(8-6-2)12(14)13-9-10(3)4/h10-11H,5-9H2,1-4H3,(H,13,14) |
| InChIKey | NYNDHQLCFINTDP-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 | HXji5ohnV3y |
|---|---|
| Name | Valeramide, 2-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/c1-5-7-11(8-6-2)12(14)13-9-10(3)4/h10-11H,5-9H2,1-4H3,(H,13,14) |
| InChIKey | NYNDHQLCFINTDP-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | CCCC(C(NCC(C)C)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957412 |