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9(10H)-Anthracenone, 10,10'-[(1-methyl-1,4-butanediyl)bis(oxy)]bis[10-phenyl-
SpectraBase Compound ID K5ObZ3CTJhN
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
Mol Weight 640.8 g/mol
Molecular Formula C45H36O4
Exact Mass 640.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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