| SpectraBase Spectrum ID |
62S9qhBZOVN |
| Name |
Cyclobutane, R-1,T-3-bis(4-methoxy-2-oxo-2H-pyran-6-yl)-C-2,T-4-bis(4-fluorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.154094813 u |
| Formula |
C28H24F2O6 |
| InChI |
InChI=1S/C22H19FO6.C6H5F/c1-26-14-7-18(28-20(24)9-14)16-11-17(19-8-15(27-2)10-21(25)29-19)22(16)12-3-5-13(23)6-4-12;7-6-4-2-1-3-5-6/h3-10,16-17,22H,11H2,1-2H3;1-5H |
| InChIKey |
WSFNVLFTABVBDV-UHFFFAOYSA-N |
| Molecular Weight |
494.491 g/mol |
| Nominal Mass |
494 u |
| SMILES |
c1ccc(cc1)F.C1(C(CC1C=1OC(=O)C=C(C1)OC)C1=CC(OC)=CC(=O)O1)c1ccc(cc1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896726 |
