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Dimer of 16 Methylidenepentacyclo[6.6.0.(2,7).0(9,14).0(15,17)]heptadeca-2,4,6,9,11,13-hexaene
SpectraBase Compound ID Jjhm4eqVVea
InChI InChI=1S/C36H28/c1-5-13-23-19(9-1)29-20-10-2-6-14-24(20)31(23)33-34-32-25-15-7-3-11-21(25)30(22-12-4-8-16-26(22)32)28-18-36(28,34)35(33)17-27(29)35/h1-16,27-34H,17-18H2/t27-,28-,29?,30?,31?,32?,33?,34?,35+,36+/m0/s1
InChIKey NQFPJMVSXABWKU-SLHTVTRYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C36H28
Exact Mass 460.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YGt3pzsR6K
Name Dimer of 16 Methylidenepentacyclo[6.6.0.(2,7).0(9,14).0(15,17)]heptadeca-2,4,6,9,11,13-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H28
InChI InChI=1S/C36H28/c1-5-13-23-19(9-1)29-20-10-2-6-14-24(20)31(23)33-34-32-25-15-7-3-11-21(25)30(22-12-4-8-16-26(22)32)28-18-36(28,34)35(33)17-27(29)35/h1-16,27-34H,17-18H2/t27-,28-,29?,30?,31?,32?,33?,34?,35+,36+/m0/s1
InChIKey NQFPJMVSXABWKU-SLHTVTRYSA-N
Molecular Weight 460.620 g/mol
SMILES [C@]123[C@]45[C@](C6c7ccccc7C(C4C3C3c4ccccc4C([C@@]1(C2)[H])c1ccccc31)c1ccccc61)(C5)[H]
SPLASH splash10-004i-3900000000-5d9112e1a00bfaa7c434
Source of Spectrum H-76-2107-26
Wiley ID 1390721