| SpectraBase Spectrum ID |
6HLAjEtyPQ |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(methylamino)methyl]-3,6-dioctyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.355928727 u |
| Formula |
C26H46N2O2 |
| InChI |
InChI=1S/C26H46N2O2/c1-5-7-9-11-13-15-17-21-23(19-27-3)26(30)22(24(20-28-4)25(21)29)18-16-14-12-10-8-6-2/h27-28H,5-20H2,1-4H3 |
| InChIKey |
MOAOJYKABXGZDV-UHFFFAOYSA-N |
| Molecular Weight |
418.666 g/mol |
| SMILES |
CCCCCCCCC1=C(CNC)C(=O)C(=C(CNC)C1=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959391 |
![2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(methylamino)methyl]-3,6-dioctyl-](/api/spectrum/6HLAjEtyPQ/structure.png?h=300&w=458 "2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(methylamino)methyl]-3,6-dioctyl-")
