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7,10:19,22:31,34-Triethenotribenzo[a,k,u]cyclotriacontene, (all-Z)-
SpectraBase Compound ID 5Zq98HiqljV
InChI InChI=1S/C48H36/c1-2-8-44-32-26-38-17-19-40(20-18-38)28-34-46-10-5-6-12-48(46)36-30-42-23-21-41(22-24-42)29-35-47-11-4-3-9-45(47)33-27-39-15-13-37(14-16-39)25-31-43(44)7-1/h1-36H/b31-25+,32-26+,33-27+,34-28+,35-29+,36-30+,37-25-,38-26-,39-27-,40-28+,41-29-,42-30+,43-31+,44-32+,45-33+,46-34-,47-35+,48-36-
InChIKey BGTUYKYUAMWQAZ-QCOIPIBVSA-N
Mol Weight 612.8 g/mol
Molecular Formula C48H36
Exact Mass 612.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxJzLzs8nMA
Name 7,10:19,22:31,34-Triethenotribenzo[a,k,u]cyclotriacontene, (all-Z)-
Alternate Name(s) all-cis-(26)(orthopara)3cyclophanehexaene Heptacyclo[38.2.2.2(12,15).2(26,29).0(4,9).0(18,23).0(32,37)]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,43,45,47-tetracosaene
CAS Registry Number 66726-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H36
InChI InChI=1S/C48H36/c1-2-8-44-32-26-38-17-19-40(20-18-38)28-34-46-10-5-6-12-48(46)36-30-42-23-21-41(22-24-42)29-35-47-11-4-3-9-45(47)33-27-39-15-13-37(14-16-39)25-31-43(44)7-1/h1-36H/b31-25+,32-26+,33-27+,34-28+,35-29+,36-30+,37-25-,38-26-,39-27-,40-28+,41-29-,42-30+,43-31+,44-32+,45-33+,46-34-,47-35+,48-36-
InChIKey BGTUYKYUAMWQAZ-QCOIPIBVSA-N
Molecular Weight 612.816 g/mol
SMILES c12\C=C\c3c(\C=C\c4ccc(\C=C\c5c(\C=C\c6ccc(\C=C\c7c(\C=C\c(cc2)cc1)cccc7)cc6)cccc5)cc4)cccc3
SPLASH splash10-0wmi-1192002000-6f68ed177a1fc554615b
Source of Spectrum SB-32-116-0
Wiley ID 1411108