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Pyrene, 1,1'-[1,1'-binaphthalene]-8,8'-diylbis-

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Pyrene, 1,1'-[1,1'-binaphthalene]-8,8'-diylbis-
SpectraBase Compound ID DRo9P6MKsVX
InChI InChI=1S/C52H30/c1-7-33-19-21-37-23-27-39(45-29-25-35(9-1)47(33)51(37)45)41-15-3-11-31-13-5-17-43(49(31)41)44-18-6-14-32-12-4-16-42(50(32)44)40-28-24-38-22-20-34-8-2-10-36-26-30-46(40)52(38)48(34)36/h1-30H
InChIKey YEHIMXCSWXKODV-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C52H30
Exact Mass 654.234751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HW7Qk3MUxvA
Name Pyrene, 1,1'-[1,1'-binaphthalene]-8,8'-diylbis-
Comments Computed using HOSE algorithm
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Exact Mass 654.234750966 u
Formula C52H30
InChI InChI=1S/C52H30/c1-7-33-19-21-37-23-27-39(45-29-25-35(9-1)47(33)51(37)45)41-15-3-11-31-13-5-17-43(49(31)41)44-18-6-14-32-12-4-16-42(50(32)44)40-28-24-38-22-20-34-8-2-10-36-26-30-46(40)52(38)48(34)36/h1-30H
InChIKey YEHIMXCSWXKODV-UHFFFAOYSA-N
SMILES C12=C(C=3C4=C(C5=C6C(C7=C8C9=C%10C(C=CC=C%10C=C8)=CC=C9C=C7)=CC=CC6=CC=C5)C=CC=C4C=CC3)C=CC=3C2=C2C(C=CC=C2C=C1)=CC3