SpectraBase Spectrum ID |
Du1pb3Oo3LQ |
Name |
9(10H)-Anthracenone, 10,10'-[(1-methyl-1,4-butanediyl)bis(oxy)]bis[10-phenyl- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
640.261359635 u |
Formula |
C45H36O4 |
InChI |
InChI=1S/C45H36O4/c1-31(49-45(33-20-6-3-7-21-33)40-28-14-10-24-36(40)43(47)37-25-11-15-29-41(37)45)17-16-30-48-44(32-18-4-2-5-19-32)38-26-12-8-22-34(38)42(46)35-23-9-13-27-39(35)44/h2-15,18-29,31H,16-17,30H2,1H3 |
InChIKey |
ZHMLPPKLTRJORZ-UHFFFAOYSA-N |
Molecular Weight |
640.779 g/mol |
SMILES |
C1(C2=C(C=CC=C2)C(C=2C1=CC=CC2)=O)(OC(CCCOC1(C=2C(=CC=CC2)C(C2=C1C=CC=C2)=O)C1=CC=CC=C1)C)C=1C=CC=CC1 |