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5,7,12,14-tetraphenyl-5,7,12,14-tetrahydropentacene 5,14;7,12-diendoxide
SpectraBase Compound ID CBF8vVold2m
InChI InChI=1S/C46H30O2/c1-5-17-31(18-6-1)43-35-25-13-14-26-36(35)44(47-43,32-19-7-2-8-20-32)40-30-42-41(29-39(40)43)45(33-21-9-3-10-22-33)37-27-15-16-28-38(37)46(42,48-45)34-23-11-4-12-24-34/h1-30H
InChIKey ZQLJVRXZDPCJTA-UHFFFAOYSA-N
Mol Weight 614.7 g/mol
Molecular Formula C46H30O2
Exact Mass 614.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IM7IEjgssa
Name 5,7,12,14-tetraphenyl-5,7,12,14-tetrahydropentacene 5,14;7,12-diendoxide
Alternate Name(s) 1,5,12,16-tetraphenyl-23,24-dioxaheptacyclo[14.6.1.1(5,12).0(2,15).0(4,13).0(6,11).0(17,22)]tetracosa-2(15),3,6,8,10,13,17,19,21-nonaene
CAS Registry Number 100367-22-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H30O2
InChI InChI=1S/C46H30O2/c1-5-17-31(18-6-1)43-35-25-13-14-26-36(35)44(47-43,32-19-7-2-8-20-32)40-30-42-41(29-39(40)43)45(33-21-9-3-10-22-33)37-27-15-16-28-38(37)46(42,48-45)34-23-11-4-12-24-34/h1-30H
InChIKey ZQLJVRXZDPCJTA-UHFFFAOYSA-N
Molecular Weight 614.744 g/mol
SMILES C12(c3c(cc4C5(c6ccccc6C(c4c3)(O5)c3ccccc3)c3ccccc3)C(O2)(c2ccccc2)c2c1cccc2)c1ccccc1
SPLASH splash10-0a4i-1900506000-5f48b136fad159282997
Source of Spectrum J-51-984-21
Wiley ID 1411242