Isophorone diisocyanate (4098-71-9) Raman
Molecular FormulaC12H18N2O2
Molecular Weight222.28
InChIInChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
InChIKey NIMLQBUJDJZYEJ-UHFFFAOYSA-N
SmilesC1(CN=C=O)(C)CC(N=C=O)CC(C)(C)C1
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid