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Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis[2,4,6-tris(2,2-dimethylpropyl)- , (R*,R*)-(.+-.)-
SpectraBase Compound ID DjX2sIjXOlw
InChI InChI=1S/C46H78/c1-31(39-35(27-43(9,10)11)21-33(25-41(3,4)5)22-36(39)28-44(12,13)14)32(2)40-37(29-45(15,16)17)23-34(26-42(6,7)8)24-38(40)30-46(18,19)20/h21-24,31-32H,25-30H2,1-20H3/t31-,32-/m1/s1
InChIKey RAYHLKXLIYZPEC-ROJLCIKYSA-N
Mol Weight 631.1 g/mol
Molecular Formula C46H78
Exact Mass 630.610353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DouZKwvzkk
Name Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis[2,4,6-tris(2,2-dimethylpropyl)- , (R*,R*)-(.+-.)-
CAS Registry Number 58708-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H78
InChI InChI=1S/C46H78/c1-31(39-35(27-43(9,10)11)21-33(25-41(3,4)5)22-36(39)28-44(12,13)14)32(2)40-37(29-45(15,16)17)23-34(26-42(6,7)8)24-38(40)30-46(18,19)20/h21-24,31-32H,25-30H2,1-20H3/t31-,32-/m1/s1
InChIKey RAYHLKXLIYZPEC-ROJLCIKYSA-N
Molecular Weight 631.130 g/mol
SMILES c1([C@@]([C@](c2c(cc(cc2CC(C)(C)C)CC(C)(C)C)CC(C)(C)C)(C)[H])(C)[H])c(cc(cc1CC(C)(C)C)CC(C)(C)C)CC(C)(C)C
SPLASH splash10-014i-9007000000-eb013340967d5e512af5
Source of Spectrum SB-30-41-0
Synonyms 2-[(1R,2R)-1-methyl-2-(2,4,6-trineopentylphenyl)propyl]-1,3,5-trineopentylbenzene meso 2,3-bis(2,4,6-trineopentylphenyl)butane
Wiley ID 1412136