1-[[3,5-dimethyl-7-[(3,5,7-trimethyl-1-adamantyl)methyl]-1-adamantyl]methyl]-3,5,7-trimethyl-adamantane

ChemSpider ID: 19718190
Molecular Formula: C₄₀H₆₄
Average mass: 544.936218 Da
Monoisotopic mass: 544.500793 Da
Systematic name

1-[[3,5-dimethyl-7-[(3,5,7-trimethyl-1-adamantyl)methyl]-1-adamantyl]methyl]-3,5,7-trimethyl-adamantane
SMILES and InChIs

SMILES:

CC12CC3(C)CC(C)(C1)CC(C2)(C3)CC95CC4(C)CC(C)(CC(C4)(C5)CC67CC8(C)CC(C)(C6)CC(C)(C7)C8)C9 Copied

Std. InChI:

InChI=1S/C40H64/c1-29-9-30(2)11-31(3,10-29)18-37(16-29,17-30)26-39-22-35(7)15-36(8,23-39)25-40(24-35,28-39)27-38-19-32(4)12-33(5,20-38)14-34(6,13-32)21-38/h9-28H2,1-8H3 Copied

Std. InChIKey:

NNYMXOZJFUAPGS-UHFFFAOYSA-N Copied
Cite this record
CSID:19718190, http://www.chemspider.com/Chemical-Structure.19718190.html (accessed 21:39, May 24, 2012) Copied

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Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.