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4b,8b,12b,12d-Tetramethyl-2,3,6,7,10,11-hexaphenyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID IvpnW54HGpv
InChI InChI=1S/C62H48/c1-59-53-35-47(41-23-11-5-12-24-41)49(43-27-15-7-16-28-43)37-55(53)60(2)57-39-51(45-31-19-9-20-32-45)52(46-33-21-10-22-34-46)40-58(57)61(3,62(59,60)4)56-38-50(44-29-17-8-18-30-44)48(36-54(56)59)42-25-13-6-14-26-42/h5-40H,1-4H3/t59-,60+,61-,62+
InChIKey NHYIPYBXULRXEY-INAWKSNHSA-N
Mol Weight 793.1 g/mol
Molecular Formula C62H48
Exact Mass 792.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VkdSIFU7PI
Name 4b,8b,12b,12d-Tetramethyl-2,3,6,7,10,11-hexaphenyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
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Formula C62H48
InChI InChI=1S/C62H48/c1-59-53-35-47(41-23-11-5-12-24-41)49(43-27-15-7-16-28-43)37-55(53)60(2)57-39-51(45-31-19-9-20-32-45)52(46-33-21-10-22-34-46)40-58(57)61(3,62(59,60)4)56-38-50(44-29-17-8-18-30-44)48(36-54(56)59)42-25-13-6-14-26-42/h5-40H,1-4H3/t59-,60+,61-,62+
InChIKey NHYIPYBXULRXEY-INAWKSNHSA-N
Molecular Weight 793.066 g/mol
SMILES C12([C@]3(c4cc(-c5ccccc5)c(cc4[C@@]1(c1cc(-c4ccccc4)c(cc1[C@@]2(c1cc(-c2ccccc2)c(cc31)-c1ccccc1)C)-c1ccccc1)C)-c1ccccc1)C)C
SPLASH splash10-004l-0000000900-6c2e7299b50c33edb993
Source of Spectrum KC-57-3611-69
Wiley ID 1623890