| SpectraBase Compound ID | LO0FWgcWbKD |
|---|---|
| InChI | InChI=1S/C9H16N2O/c1-3-4-5-6-9(7-10)11-8(2)12/h9H,3-6H2,1-2H3,(H,11,12) |
| InChIKey | TZLYACWLCHIEHF-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C9H16N2O |
| Exact Mass | 168.126263 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6RSr4m7r4XZ |
|---|---|
| Name | N-Hexylamine, N-acetyl-1-cyano- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.126263142 u |
| Formula | C9H16N2O |
| InChI | InChI=1S/C9H16N2O/c1-3-4-5-6-9(7-10)11-8(2)12/h9H,3-6H2,1-2H3,(H,11,12) |
| InChIKey | TZLYACWLCHIEHF-UHFFFAOYSA-N |
| Molecular Weight | 168.240 g/mol |
| SMILES | C(CCCCC)(NC(C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976152 |