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7,8,9,10,32,33,34,35-Octadehydro-21,24-dihydro-1,6:11,16,:26,31:36,41-tetramethano[50]annulen-21,46-dione
SpectraBase Compound ID FMZNtSSzJme
InChI InChI=1S/C54H40O2/c55-53-37-17-13-33-49-29-9-5-25-45(41-49)21-1-2-22-46-26-6-10-30-50(42-46)34-14-18-38-54(56)40-20-16-36-52-32-12-8-28-48(44-52)24-4-3-23-47-27-7-11-31-51(43-47)35-15-19-39-53/h5-20,25-40H,41-44H2/b33-13+,34-14+,35-15+,36-16+,37-17+,38-18+,39-19+,40-20+
InChIKey NPNYKMCATNXPHA-FRKNQDHXSA-N
Mol Weight 720.9 g/mol
Molecular Formula C54H40O2
Exact Mass 720.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z6UoiTyWeG
Name 7,8,9,10,32,33,34,35-Octadehydro-21,24-dihydro-1,6:11,16,:26,31:36,41-tetramethano[50]annulen-21,46-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H40O2
InChI InChI=1S/C54H40O2/c55-53-37-17-13-33-49-29-9-5-25-45(41-49)21-1-2-22-46-26-6-10-30-50(42-46)34-14-18-38-54(56)40-20-16-36-52-32-12-8-28-48(44-52)24-4-3-23-47-27-7-11-31-51(43-47)35-15-19-39-53/h5-20,25-40H,41-44H2/b33-13+,34-14+,35-15+,36-16+,37-17+,38-18+,39-19+,40-20+
InChIKey NPNYKMCATNXPHA-FRKNQDHXSA-N
Molecular Weight 720.912 g/mol
SMILES C#1C#CC2=CC=CC=C(C2)\C=C\C=C\C(\C=C\C=C\C2=CC=CC=C(C#CC#CC=3CC(\C=C\C=C\C(\C=C\C=C\C=4CC(C1)=CC=CC4)=O)=CC=CC3)C2)=O
SPLASH splash10-0f79-0901000000-64ee20ca227ba99af094
Source of Spectrum KC-0-3035-24
Wiley ID 784715