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Details

Stereochemistry MIXED
Molecular Formula C12H18N2O2
Molecular Weight 222.2835
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ISOPHORONE DIISOCYANATE

SMILES

CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

InChI

InChIKey=NIMLQBUJDJZYEJ-UHFFFAOYSA-N
InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H18N2O2
Molecular Weight 222.2835
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
43B0856528
Record Status Validated (UNII)
Record Version