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Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis[2,4,6-tris(2,2-dimethylpropyl)- , (R*,S*)-
SpectraBase Compound ID I3YYf1CPf3i
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+
InChIKey RAYHLKXLIYZPEC-MEKGRNQZSA-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 BzWm1XfItQV
Name Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis[2,4,6-tris(2,2-dimethylpropyl)- , (R*,S*)-
CAS Registry Number 58708-87-5
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+
InChIKey RAYHLKXLIYZPEC-MEKGRNQZSA-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-7009000000-fde3a427b2bb52b919fb
Source of Spectrum SB-30-41-0
Synonyms ()2,3-bis(2,4,6-trineopentylphenyl)butane 2-[(1S,2R)-1-methyl-2-(2,4,6-trineopentylphenyl)propyl]-1,3,5-trineopentylbenzene
Wiley ID 1412135