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4b,8b,12b-Tris(4-methoxyphenyl)-12d-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID B3YxI7eSlPV
InChI InChI=1S/C44H36O3/c1-41-42(29-17-23-32(45-2)24-18-29)35-11-5-7-13-37(35)43(41,30-19-25-33(46-3)26-20-30)39-15-9-10-16-40(39)44(41,38-14-8-6-12-36(38)42)31-21-27-34(47-4)28-22-31/h5-28H,1-4H3/t41-,42+,43-,44+
InChIKey DRFKOTMKXSQJHF-JCIMKDCBSA-N
Mol Weight 612.8 g/mol
Molecular Formula C44H36O3
Exact Mass 612.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2xIB8eHt9o
Name 4b,8b,12b-Tris(4-methoxyphenyl)-12d-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H36O3
InChI InChI=1S/C44H36O3/c1-41-42(29-17-23-32(45-2)24-18-29)35-11-5-7-13-37(35)43(41,30-19-25-33(46-3)26-20-30)39-15-9-10-16-40(39)44(41,38-14-8-6-12-36(38)42)31-21-27-34(47-4)28-22-31/h5-28H,1-4H3/t41-,42+,43-,44+
InChIKey DRFKOTMKXSQJHF-JCIMKDCBSA-N
Molecular Weight 612.769 g/mol
SMILES C12([C@]3(c4ccccc4[C@@]2(c2ccccc2[C@@]1(c1ccccc31)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC)C
SPLASH splash10-03di-0100019000-eb9b9d21321769103e71
Source of Spectrum KC-57-3600-23
Wiley ID 1623833