SpectraBase Spectrum ID |
DqNJggbH78W |
Name |
1H-Imidazole, 4,5-dihydro-2-[6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)hexyl]-1-octyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
394.319543217 u |
Formula |
C23H42N2O3 |
InChI |
InChI=1S/C23H42N2O3/c1-3-4-5-6-9-12-16-25-17-15-24-21(25)13-10-7-8-11-14-23-26-18-22(2,19-27-23)20-28-23/h3-20H2,1-2H3 |
InChIKey |
CTQSUWHNLFMEDF-UHFFFAOYSA-N |
Molecular Weight |
394.600 g/mol |
SMILES |
C12(OCC(CO2)(C)CO1)CCCCCCC=1N(CCN1)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835565 |