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5.alpha.,10.alpha.,15.beta.-tris(4'-Methoxyphenyl)-10,15-dihydro-5H-diindeno[1,2-a : 1',2'-c]fluorene
SpectraBase Compound ID 5XXgWSR0rvU
InChI InChI=1S/C48H36O3/c1-49-31-22-16-28(17-23-31)40-34-10-4-7-13-37(34)43-46(40)44-38-14-8-5-11-35(38)41(29-18-24-32(50-2)25-19-29)48(44)45-39-15-9-6-12-36(39)42(47(43)45)30-20-26-33(51-3)27-21-30/h4-27,40-42H,1-3H3/t40-,41-,42-/m1/s1
InChIKey AYKLLFDQAXBVKO-ILGLXFKISA-N
Mol Weight 660.8 g/mol
Molecular Formula C48H36O3
Exact Mass 660.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7VfVoA88J8
Name 5.alpha.,10.alpha.,15.beta.-Tris(4'-methoxyphenyl)-10,15-dihydro-5H-diindeno[1,2-A : 1',2'-C]fluorene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 660.266445016 u
Formula C48H36O3
InChI InChI=1S/C48H36O3/c1-49-31-22-16-28(17-23-31)40-34-10-4-7-13-37(34)43-46(40)44-38-14-8-5-11-35(38)41(29-18-24-32(50-2)25-19-29)48(44)45-39-15-9-6-12-36(39)42(47(43)45)30-20-26-33(51-3)27-21-30/h4-27,40-42H,1-3H3/t40-,41-,42-/m1/s1
InChIKey AYKLLFDQAXBVKO-ILGLXFKISA-N
SMILES C=12C(=C3C4=C(C=CC=C4)[C@](C3=C3C1[C@@](C=1C=CC=CC31)(C1=CC=C(C=C1)OC)[H])(C1=CC=C(C=C1)OC)[H])[C@](C1=CC=C(C=C1)OC)(C1=C2C=CC=C1)[H]