| SpectraBase Compound ID | 4hPP1QAcJzn |
|---|---|
| InChI | InChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-12-13-16-15(17)14(2)3/h14H,4-13H2,1-3H3,(H,16,17) |
| InChIKey | DVSGDXNEXBGSJS-UHFFFAOYSA-N |
| Mol Weight | 241.42 g/mol |
| Molecular Formula | C15H31NO |
| Exact Mass | 241.240565 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | OlSe4oCmPU |
|---|---|
| Name | Isobutyramide, N-undecyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.240564621 u |
| Formula | C15H31NO |
| InChI | InChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-12-13-16-15(17)14(2)3/h14H,4-13H2,1-3H3,(H,16,17) |
| InChIKey | DVSGDXNEXBGSJS-UHFFFAOYSA-N |
| Molecular Weight | 241.419 g/mol |
| SMILES | C(C(=O)NCCCCCCCCCCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948103 |