| SpectraBase Compound ID | GbjiAan345q |
|---|---|
| InChI | InChI=1S/C19H25NO2/c1-6-9-16-14-19(22-5)17(15-18(16)21-4)10-13-20(11-7-2)12-8-3/h7-8,14-15H,2-3,10-13H2,1,4-5H3 |
| InChIKey | JRCSOAOYQPALCG-UHFFFAOYSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C19H25NO2 |
| Exact Mass | 299.188529 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JpOBjZMVBZD |
|---|---|
| Name | 2C-pyn 2All |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.188529047 u |
| Formula | C19H25NO2 |
| InChI | InChI=1S/C19H25NO2/c1-6-9-16-14-19(22-5)17(15-18(16)21-4)10-13-20(11-7-2)12-8-3/h7-8,14-15H,2-3,10-13H2,1,4-5H3 |
| InChIKey | JRCSOAOYQPALCG-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)OC)C#CC)OC)CCN(CC=C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875983 |