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3,6-bis(4'-t-Butylphenyl)tetracyclo[5.4.0.0(2,9).0(8,10)]undeca-3,5-dieno[4,5-d]acenaphthylene
SpectraBase Compound ID 1Vs70eWY1tr
InChI InChI=1S/C41H40/c1-40(2,3)25-17-13-23(14-18-25)32-34-27-11-7-9-22-10-8-12-28(31(22)27)35(34)33(24-15-19-26(20-16-24)41(4,5)6)37-29-21-30-38(36(29)32)39(30)37/h7-20,29-30,36-39H,21H2,1-6H3/t29-,30+,36-,37+,38+,39-
InChIKey LCTUFURHCLOTFS-FJJAUPBGSA-N
Mol Weight 532.8 g/mol
Molecular Formula C41H40
Exact Mass 532.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rRerqVvmNv
Name 3,6-bis(4'-t-Butylphenyl)tetracyclo[5.4.0.0(2,9).0(8,10)]undeca-3,5-dieno[4,5-d]acenaphthylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H40
InChI InChI=1S/C41H40/c1-40(2,3)25-17-13-23(14-18-25)32-34-27-11-7-9-22-10-8-12-28(31(22)27)35(34)33(24-15-19-26(20-16-24)41(4,5)6)37-29-21-30-38(36(29)32)39(30)37/h7-20,29-30,36-39H,21H2,1-6H3/t29-,30+,36-,37+,38+,39-
InChIKey LCTUFURHCLOTFS-FJJAUPBGSA-N
Molecular Weight 532.771 g/mol
SMILES C1=2C(=C([C@]3([C@]4([C@]([C@@]5([C@]3([C@]5(C4)[H])[H])[H])(C2c2ccc(C(C)(C)C)cc2)[H])[H])[H])c2ccc(C(C)(C)C)cc2)c2cccc3c2c1ccc3
SPLASH splash10-001i-0000190000-236f7eb54188529f482f
Source of Spectrum C-128-6881-14b
Wiley ID 1701724