| SpectraBase Compound ID | FCWzjKWLfrf |
|---|---|
| InChI | InChI=1S/C13H27NO/c1-5-7-9-13(15)14(10-8-6-2)11-12(3)4/h12H,5-11H2,1-4H3 |
| InChIKey | PLGXLAFMCKUSDF-UHFFFAOYSA-N |
| Mol Weight | 213.36 g/mol |
| Molecular Formula | C13H27NO |
| Exact Mass | 213.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9L5rajS05fA |
|---|---|
| Name | Valeramide, N-butyl-N-isobutyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.209264492 u |
| Formula | C13H27NO |
| InChI | InChI=1S/C13H27NO/c1-5-7-9-13(15)14(10-8-6-2)11-12(3)4/h12H,5-11H2,1-4H3 |
| InChIKey | PLGXLAFMCKUSDF-UHFFFAOYSA-N |
| Molecular Weight | 213.365 g/mol |
| SMILES | CCCCC(N(CC(C)C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91635 |