| SpectraBase Compound ID | KQxf423BnyC |
|---|---|
| InChI | InChI=1S/C10H21NO/c1-4-5-6-7-8-11-10(12)9(2)3/h9H,4-8H2,1-3H3,(H,11,12) |
| InChIKey | JCQNCGYMFKRRII-UHFFFAOYSA-N |
| Mol Weight | 171.28 g/mol |
| Molecular Formula | C10H21NO |
| Exact Mass | 171.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6hiOFuJTKQk |
|---|---|
| Name | Isobutyramide, N-hexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.162314299 u |
| Formula | C10H21NO |
| InChI | InChI=1S/C10H21NO/c1-4-5-6-7-8-11-10(12)9(2)3/h9H,4-8H2,1-3H3,(H,11,12) |
| InChIKey | JCQNCGYMFKRRII-UHFFFAOYSA-N |
| Molecular Weight | 171.284 g/mol |
| SMILES | C(C(=O)NCCCCCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984239 |