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Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
Butyl-2-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]-4-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]ureaoate

Molecular and structural information

Molecular formula:
C28H46N4O5
Molecular weight:
ca. 518.7
SMILES notation:
C1C(C)(C)CC(CNC(=O)N(C(CC(C)(C2)C)CC2(C)CN=C=O)C(=O)OCCCC)(CC1N=C=O)C
InChl:
InChI=1S/C28H46N4O5/c1-8-9-10-37-24(36)32(22-13-26(4,5)16-28(7,14-22)17-29-19-33)23(35)30-18-27(6)12-21(31-20-34)11-25(2,3)15-27/h21-22H,8-18H2,1-7H3,(H,30,35)
Structural formula:
Chemical structure