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5,7,16,18-tetrahydro-5,16[1',2']-benzenoheptacene

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5,7,16,18-tetrahydro-5,16[1',2']-benzenoheptacene
SpectraBase Compound ID 1Ru0QCOyGj6
InChI InChI=1S/C36H24/c1-2-8-22-14-24-16-26-18-28-20-34-33(19-27(28)17-25(26)15-23(24)13-21(22)7-1)35-29-9-3-5-11-31(29)36(34)32-12-6-4-10-30(32)35/h1-16,19-20,35-36H,17-18H2/t35-,36+
InChIKey DWRAHYXKHHRLDR-TYHGNQNSSA-N
Mol Weight 456.6 g/mol
Molecular Formula C36H24
Exact Mass 456.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K955kMXgy6v
Name 5,7,16,18-tetrahydro-5,16[1',2']-benzenoheptacene
Alternate Name(s) nonacyclo[22.6.6.0(2,23).0(4,21).0(6,19).0(8,17).0(10,15).0(25,30).0(31,36)]hexatriaconta-2(23),3,6,8,10,12,14,16,18,21,25,27,29,31,33,35-hexadecaene
CAS Registry Number 110372-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H24
InChI InChI=1S/C36H24/c1-2-8-22-14-24-16-26-18-28-20-34-33(19-27(28)17-25(26)15-23(24)13-21(22)7-1)35-29-9-3-5-11-31(29)36(34)32-12-6-4-10-30(32)35/h1-16,19-20,35-36H,17-18H2/t35-,36+
InChIKey DWRAHYXKHHRLDR-TYHGNQNSSA-N
Molecular Weight 456.588 g/mol
SMILES [C@]12(c3c(cc4c(c3)Cc3c(cc5cc6ccccc6cc5c3)C4)[C@](c3c2cccc3)(c2c1cccc2)[H])[H]
SPLASH splash10-0zi0-0030900000-f1406006a531a9d74de6
Source of Spectrum J-52-4836-24
Wiley ID 1389570