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6,8,10,17,19,21-Hexahydro-6,21:8,19:10,17-trimethanononacene
SpectraBase Compound ID GbWwmuA9Ax9
InChI InChI=1S/C41H28/c1-2-6-21-10-25-24(9-20(21)5-1)28-13-29(25)33-16-37-36(15-32(28)33)40-19-41(37)39-18-35-31-14-30(34(35)17-38(39)40)26-11-22-7-3-4-8-23(22)12-27(26)31/h1-12,15-18,28-31,40-41H,13-14,19H2
InChIKey DQHOQSPXEDQDCR-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C41H28
Exact Mass 520.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuKX8XEWuZI
Name 6,8,10,17,19,21-Hexahydro-6,21:8,19:10,17-trimethanononacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H28
InChI InChI=1S/C41H28/c1-2-6-21-10-25-24(9-20(21)5-1)28-13-29(25)33-16-37-36(15-32(28)33)40-19-41(37)39-18-35-31-14-30(34(35)17-38(39)40)26-11-22-7-3-4-8-23(22)12-27(26)31/h1-12,15-18,28-31,40-41H,13-14,19H2
InChIKey DQHOQSPXEDQDCR-UHFFFAOYSA-N
Molecular Weight 520.675 g/mol
SMILES c12c(C3CC2c2c3cc3c(c2)cccc3)cc2c(c1)C1c3c(cc4c(c3)C3c5c(cc6c(c5)cccc6)C4C3)C2C1
SPLASH splash10-00di-2000090000-3ecb5a5bae5a3bf2e304
Source of Spectrum QF-9-5045-4
Synonyms Dodecacyclo[18.18.1.1(5,16).1(24,35).0(2,19).0(4,17).0(6,15).0(8,13).0(21,38).0(23,36).0(25,34).0(27,32)]hentetraconta-2(19),3,6,8,10,12,14,17,21(38),22,25(34),26,28,30,32,36-hexadecaene
Wiley ID 1558894