| SpectraBase Spectrum ID |
K3RvBaepe3C |
| Name |
Morpholine, 4,4',4''-[1-(4-fluorophenyl)-4,5-dihydro-1H-imidazole-2,4,5-triyl]tri S-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.233268006 u |
| Formula |
C21H30FN5O3 |
| InChI |
InChI=1S/C21H30FN5O3/c22-17-1-3-18(4-2-17)27-20(25-7-13-29-14-8-25)19(24-5-11-28-12-6-24)23-21(27)26-9-15-30-16-10-26/h1-4,19-20H,5-16H2 |
| InChIKey |
UROXHJOXSYZBEO-UHFFFAOYSA-N |
| Molecular Weight |
419.501 g/mol |
| SMILES |
C=1(N(C(N2CCOCC2)C(N1)N1CCOCC1)C=1C=CC(=CC1)F)N1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871919 |
![Morpholine, 4,4',4''-[1-(4-fluorophenyl)-4,5-dihydro-1H-imidazole-2,4,5-triyl]tri s-, trans-](/api/spectrum/K3RvBaepe3C/structure.png?h=300&w=458 "Morpholine, 4,4',4''-[1-(4-fluorophenyl)-4,5-dihydro-1H-imidazole-2,4,5-triyl]tri s-, trans-")
