| SpectraBase Compound ID | BxZsO6U8ZJo |
|---|---|
| InChI | InChI=1S/C8H14N2O/c1-3-4-5-8(6-9)10-7(2)11/h8H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | PYJHFTCGJDWUMK-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C8H14N2O |
| Exact Mass | 154.110613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BKTEcGQMTM1 |
|---|---|
| Name | Pentylamine, N-acetyl-1-cyano- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.110613078 u |
| Formula | C8H14N2O |
| InChI | InChI=1S/C8H14N2O/c1-3-4-5-8(6-9)10-7(2)11/h8H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | PYJHFTCGJDWUMK-UHFFFAOYSA-N |
| Molecular Weight | 154.213 g/mol |
| SMILES | C(CCCC)(NC(C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985567 |