| SpectraBase Compound ID | CeM1BoDMYER |
|---|---|
| InChI | InChI=1S/C8H19N/c1-4-7-8(9,5-2)6-3/h4-7,9H2,1-3H3 |
| InChIKey | IZEJQGRHGSWGDZ-UHFFFAOYSA-N |
| Mol Weight | 129.25 g/mol |
| Molecular Formula | C8H19N |
| Exact Mass | 129.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GZtHCnB4qCN |
|---|---|
| Name | 3-Hexanamine, 3-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.151749616 u |
| Formula | C8H19N |
| InChI | InChI=1S/C8H19N/c1-4-7-8(9,5-2)6-3/h4-7,9H2,1-3H3 |
| InChIKey | IZEJQGRHGSWGDZ-UHFFFAOYSA-N |
| Molecular Weight | 129.247 g/mol |
| SMILES | C(C(CC)(CC)N)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901781 |