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2,5,8,11-Tetraisopropyl-cycloocta[1,2,3,4-def : 5,6,7,8-d',e',f']bisphenylene
SpectraBase Compound ID B6j0ozEIQYz
InChI InChI=1S/C36H36/c1-17(2)21-9-25-26-10-22(18(3)4)15-31-32-16-24(20(7)8)12-28-27-11-23(19(5)6)14-30(35(27)36(28)32)29(13-21)33(25)34(26)31/h9-20H,1-8H3/b30-29-,32-31-
InChIKey BFWKZLKNISNYFM-IOYDOZLVSA-N
Mol Weight 468.7 g/mol
Molecular Formula C36H36
Exact Mass 468.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPDWyscNrRl
Name 2,5,8,11-Tetraisopropyl-cycloocta[1,2,3,4-def : 5,6,7,8-d',e',f']bisphenylene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36
InChI InChI=1S/C36H36/c1-17(2)21-9-25-26-10-22(18(3)4)15-31-32-16-24(20(7)8)12-28-27-11-23(19(5)6)14-30(35(27)36(28)32)29(13-21)33(25)34(26)31/h9-20H,1-8H3/b30-29-,32-31-
InChIKey BFWKZLKNISNYFM-IOYDOZLVSA-N
Molecular Weight 468.684 g/mol
SMILES c12-c3c4-c5cc(C(C)C)cc-6c5-c5c(-c2cc(C(C)C)cc1-c3cc(C(C)C)c4)cc(C(C)C)cc65
SPLASH splash10-014i-0000900000-797903805e0a9bd8e3c8
Source of Spectrum C-124-4691-3
Wiley ID 1701023