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Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

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

Molecular and structural information

Molecular formula:
C29H48N4O5
Molecular weight:
ca. 532.7
SMILES notation:
C1C(C)(C)CC(CC1N=C=O)(CNC(=O)N(C(CC(C1)(C)CN=C=O)CC1(C)C)C(=O)OCCCCC)C
InChl:
InChI=1S/C29H48N4O5/c1-8-9-10-11-38-25(37)33(23-14-27(4,5)17-29(7,15-23)18-30-20-34)24(36)31-19-28(6)13-22(32-21-35)12-26(2,3)16-28/h22-23H,8-19H2,1-7H3,(H,31,36)
Structural formula:
Chemical structure