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4-(1',2',3',4'-Tetraphenyl-6'-fulvenyl)[2.2]paracyclophane
SpectraBase Compound ID Luwj4xkTwgv
InChI InChI=1S/C46H36/c1-5-13-37(14-6-1)43-42(32-41-31-35-26-25-33-21-23-34(24-22-33)27-29-36(41)30-28-35)44(38-15-7-2-8-16-38)46(40-19-11-4-12-20-40)45(43)39-17-9-3-10-18-39/h1-24,28,30-32H,25-27,29H2
InChIKey QZRBKTMGPXPFRB-UHFFFAOYSA-N
Mol Weight 588.8 g/mol
Molecular Formula C46H36
Exact Mass 588.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVqtDMOaeSn
Name 4-(1',2',3',4'-Tetraphenyl-6'-fulvenyl)[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H36
InChI InChI=1S/C46H36/c1-5-13-37(14-6-1)43-42(32-41-31-35-26-25-33-21-23-34(24-22-33)27-29-36(41)30-28-35)44(38-15-7-2-8-16-38)46(40-19-11-4-12-20-40)45(43)39-17-9-3-10-18-39/h1-24,28,30-32H,25-27,29H2
InChIKey QZRBKTMGPXPFRB-UHFFFAOYSA-N
Molecular Weight 588.794 g/mol
SMILES C1(C(=C(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)=Cc1c2CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-00di-0019000000-a0920cd6cddb26cb2723
Source of Spectrum K1-2000-2708-17
Wiley ID 750012