| SpectraBase Compound ID | 4cnlmlW6056 |
|---|---|
| InChI | InChI=1S/C14H29NO/c1-5-7-9-14(16)15(11-8-6-2)12-10-13(3)4/h13H,5-12H2,1-4H3 |
| InChIKey | XHHPBAZGAUOBFU-UHFFFAOYSA-N |
| Mol Weight | 227.39 g/mol |
| Molecular Formula | C14H29NO |
| Exact Mass | 227.224915 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DMsivDgDyBV |
|---|---|
| Name | Valeramide, N-butyl-N-(3-methylbutyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.224914557 u |
| Formula | C14H29NO |
| InChI | InChI=1S/C14H29NO/c1-5-7-9-14(16)15(11-8-6-2)12-10-13(3)4/h13H,5-12H2,1-4H3 |
| InChIKey | XHHPBAZGAUOBFU-UHFFFAOYSA-N |
| Molecular Weight | 227.392 g/mol |
| SMILES | CCCCC(N(CCC(C)C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969231 |