| SpectraBase Spectrum ID |
L05kHUaW7xd |
| Name |
1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]azocane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.194008349 u |
| Formula |
C19H27NO4 |
| InChI |
InChI=1S/C19H27NO4/c1-22-16-13-15(14-17(23-2)19(16)24-3)9-10-18(21)20-11-7-5-4-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3/b10-9+ |
| InChIKey |
MDGVCMGGLSOVIQ-MDZDMXLPSA-N |
| Molecular Weight |
333.428 g/mol |
| SMILES |
C1N(CCCCCC1)C(=O)\C=C\C1=CC(=C(C(=C1)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948334 |
![1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]azocane](/api/spectrum/L05kHUaW7xd/structure.png?h=300&w=458 "1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]azocane")
