| SpectraBase Spectrum ID |
3dhQUiEnvou |
| Name |
2,2',7,7'-bis(1,4-Oxymethylphenyl)bis(9H-fluoren-9-one)cyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
628.188588616 u |
| Formula |
C42H28O6 |
| InChI |
InChI=1S/C42H28O6/c43-41-37-17-29-9-13-33(37)35-15-11-31(19-39(35)41)47-23-27-5-7-28(8-6-27)24-48-32-12-16-36-34-14-10-30(18-38(34)42(44)40(36)20-32)46-22-26-2-1-25(3-4-26)21-45-29/h1-20H,21-24H2 |
| InChIKey |
XORMSRGTNFOANO-UHFFFAOYSA-N |
| Molecular Weight |
628.680 g/mol |
| SMILES |
C1=2C(C=3C=C4OCC=5C=CC(COC6=CC=7C(C=8C=C(OCC9=CC=C(COC(C2)=CC=C1C3C=C4)C=C9)C=CC8C7C=C6)=O)=CC5)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940738 |
