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Reference substances

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IUPAC name:
1-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-3-[3-({3-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2,4-dioxo-1,3-diazetidin-1-yl}methyl)-3,5,5-trimethylcyclohexyl]-1,3-diazetidine-2,4-dione

Inventory

Synonyms
Names:
Isophorone diisocyanate, oligomerization product, uretdione type, n = 3

Molecular and structural information

Molecular formula:
C36H54N6O6
Molecular weight:
666.87
SMILES notation:
O=C=NC1CC(C)(C)CC(C)(C1)CN2C(=O)N(C2=O)CC3(C)CC(C)(C)CC(C3)N4C(=O)N(C4=O)CC5(C)CC(C)(C)CC(C5)N=C=O
InChl:
InChI=1S/C36H54N6O6/c1-31(2)10-24(37-22-43)12-34(7,16-31)19-39-27(45)40(28(39)46)21-36(9)15-26(14-33(5,6)18-36)42-29(47)41(30(42)48)20-35(8)13-25(38-23-44)11-32(3,4)17-35/h24-26H,10-21H2,1-9H3
Structural formula:
Chemical structure

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