| SpectraBase Spectrum ID |
AlGe0grvUkX |
| Name |
Endo(1S,8S)-9-fluoro-1,8-diphenyl-10-(4-chlorophenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2(7),3,5-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.118671126 u |
| Formula |
C28H20ClFO |
| InChI |
InChI=1S/C28H20ClFO/c29-22-17-15-19(16-18-22)25-26(30)28(21-11-5-2-6-12-21)24-14-8-7-13-23(24)27(25,31-28)20-9-3-1-4-10-20/h1-18,25-26H |
| InChIKey |
HYXWUBVSWPPUMS-UHFFFAOYSA-N |
| Molecular Weight |
426.918 g/mol |
| SMILES |
C12(OC(C=3C=CC=CC3)(C3=C1C=CC=C3)C(C2C1=CC=C(C=C1)Cl)F)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900033 |
![Endo(1S,8S)-9-fluoro-1,8-diphenyl-10-(4-chlorophenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2(7),3,5-triene](/api/spectrum/AlGe0grvUkX/structure.png?h=300&w=458 "Endo(1S,8S)-9-fluoro-1,8-diphenyl-10-(4-chlorophenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2(7),3,5-triene")
