| SpectraBase Compound ID | DOOnseeVWMb |
|---|---|
| InChI | InChI=1S/C12H23N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4,10-11H,1,5-9,12H2,2-3H3/b11-10+ |
| InChIKey | ZDIDSJWITLGYFN-ZHACJKMWSA-N |
| Mol Weight | 181.32 g/mol |
| Molecular Formula | C12H23N |
| Exact Mass | 181.18305 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3HYQXKFvgku |
|---|---|
| Name | 2,7-Octadien-1-amine, N,N-diethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.183049745 u |
| Formula | C12H23N |
| InChI | InChI=1S/C12H23N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4,10-11H,1,5-9,12H2,2-3H3/b11-10+ |
| InChIKey | ZDIDSJWITLGYFN-ZHACJKMWSA-N |
| Molecular Weight | 181.323 g/mol |
| SMILES | C(N(CC)CC)\C=C\CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933121 |