3,3'-Dimethyl-4,4'-biphenylene diisocyanate(91-97-4) MS
Product Name3,3'-Dimethyl-4,4'-biphenylene diisocyanate
CAS91-97-4
Molecular FormulaC16H12N2O2
Molecular Weight264.28
InChIInChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3
InChIKey ICLCCFKUSALICQ-UHFFFAOYSA-N
SmilesC1(C2=CC=C(N=C=O)C(C)=C2)=CC=C(N=C=O)C(C)=C1
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MassMS-IW-2137 3,3'-dimethyl-4,4'-biphenylylene diisocyanate C16H12N2O2 (Mass of molecular ion: 264)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.2 51.0 1.7 63.0 1.6 75.0 1.1 76.0 2.7 77.0 2.2 82.5 1.0 89.0 1.2 90.0 2.2 90.5 1.2 96.5 1.2 103.0 2.5 103.5 1.1 104.0 1.3 115.0 1.0 117.0 1.1 132.0 4.8 139.0 1.0 140.0 1.6 151.0 1.4 152.0 1.9 153.0 1.2 165.0 2.4 166.0 2.0 177.0 1.1 178.0 2.0 179.0 1.6 180.0 1.5 192.0 1.4 193.0 1.6 194.0 3.3 206.0 2.0 207.0 2.2 209.0 2.1 220.0 1.0 221.0 5.1 222.0 3.5 235.0 11.6 236.0 5.1 263.0 2.5 264.0 100.0 265.0 18.4 266.0 2.0
KBr disc
nujol mull
