1,4-Phenylene diisocyanate(104-49-4) 1H NMR
Product Name1,4-Phenylene diisocyanate
CAS104-49-4
Molecular FormulaC8H4N2O2
Molecular Weight160.13
InChIInChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChIKey ALQLPWJFHRMHIU-UHFFFAOYSA-N
SmilesC1(N=C=O)=CC=C(N=C=O)C=C1
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MassMS2007-03573WA p-phenylene diisocyanate C8H4N2O2 (Mass of molecular ion: 160)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
18.0 1.4 26.0 2.6 37.0 1.9 38.0 1.7 39.0 1.3 50.0 2.8 51.0 7.3 52.0 9.0 53.0 4.5 54.0 7.2 61.0 1.2 62.0 2.1 63.0 2.4 64.0 4.2 75.0 1.4 76.0 4.6 77.0 16.0 78.0 5.3 80.0 2.7 89.0 1.2 103.0 1.4 104.0 27.5 105.0 2.1 132.0 28.8 133.0 2.4 160.0 100.0 161.0 9.5
in CDCl3
in CDCl3
KBr disk
Nujol
