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5,22[1',2']:7,20[1'',2'']:11,16[1''',2''']-Tribenzenononacene, 5,7,11,16,20,22-hexahydro-
SpectraBase Compound ID Fkf0Eucmzkt
InChI InChI=1S/C56H34/c1-2-12-34-33(11-1)51-35-13-3-4-14-36(35)52(34)44-24-30-22-32-26-46-45(25-31(32)21-29(30)23-43(44)51)55-41-19-9-10-20-42(41)56(46)50-28-48-47(27-49(50)55)53-37-15-5-7-17-39(37)54(48)40-18-8-6-16-38(40)53/h1-28,51-56H/t51-,52+,53-,54+,55-,56+
InChIKey PNRJJJCDPWZHHS-AKIDNVLFSA-N
Mol Weight 706.9 g/mol
Molecular Formula C56H34
Exact Mass 706.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I98JslhaxF1
Name 5,22[1',2']:7,20[1'',2'']:11,16[1''',2''']-Tribenzenononacene, 5,7,11,16,20,22-hexahydro-
CAS Registry Number 106750-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H34
InChI InChI=1S/C56H34/c1-2-12-34-33(11-1)51-35-13-3-4-14-36(35)52(34)44-24-30-22-32-26-46-45(25-31(32)21-29(30)23-43(44)51)55-41-19-9-10-20-42(41)56(46)50-28-48-47(27-49(50)55)53-37-15-5-7-17-39(37)54(48)40-18-8-6-16-38(40)53/h1-28,51-56H/t51-,52+,53-,54+,55-,56+
InChIKey PNRJJJCDPWZHHS-AKIDNVLFSA-N
Molecular Weight 706.888 g/mol
SMILES C12c3c(cc4C5c6ccccc6C(c4c3)c3ccccc53)C(c3c1cccc3)c1c2cc2c(cc3cc4C5c6ccccc6C(c4cc3c2)c2ccccc52)c1
SPLASH splash10-0a4i-0002000900-e704dc8a8d62b4fa8a6c
Source of Spectrum F-42-1653-54
Synonyms 5,22[1',2'],7,20[1',2'],11,16[1',2']-tribenzeno-5,7,11,16-,20,22-hexahydro-nonacene 5,22[1',2']:7,20[1'',2'']:11,16[1''',2''']-tribenzenononacene, 5,7,11,16,20,22-hexahydro- Pentadecacyclo[22.14.6.6(9,16).6(28,35).0(2,23).0(4,21).0(6,19).0(8,17).0(10,15).0(25,38).0(27,36).0(29,34).0(39,44).0(45,50).0(51,56)]hexapentaconta-2(23),3,5,7,10,12,14,17,19,21,25(38),26,29,31,33,36,39,41,43,45,47,49,51,53,55-pentacosaene
Wiley ID 1415242