2,6-Dimethylphenyl isocyanate(28556-81-2) 1H NMR
Product Name2,6-Dimethylphenyl isocyanate
CAS28556-81-2
Molecular FormulaC9H9NO
Molecular Weight147.17
InChIInChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey YQLRKXVEALTVCZ-UHFFFAOYSA-N
SmilesC1(C)=CC=CC(C)=C1N=C=O
-
MassMS-IW-2191 2,6-xylyl isocyanate C9H9NO (Mass of molecular ion: 147)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 3.4 28.0 1.7 38.0 2.1 39.0 9.7 40.0 1.5 41.0 1.9 50.0 3.5 51.0 7.9 52.0 5.1 53.0 2.3 58.5 5.6 59.0 1.1 59.5 1.5 62.0 1.8 63.0 5.0 64.0 2.8 65.0 6.7 66.0 1.7 72.5 1.0 73.5 1.6 75.0 1.4 76.0 2.1 77.0 10.0 78.0 5.1 79.0 1.9 89.0 3.0 90.0 2.4 91.0 17.7 92.0 13.8 93.0 3.2 102.0 1.8 103.0 5.2 104.0 7.4 105.0 9.8 106.0 1.0 116.0 2.5 117.0 3.5 118.0 34.9 119.0 46.8 120.0 4.3 132.0 34.2 133.0 3.2 146.0 14.2 147.0 100.0 148.0 10.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C9 H9 N O 0.05 ml : 0.5 ml CDCl3 2,6-xylyl isocyanate 
Assign. Shift(ppm)
A 6.99 to 6.97 B 2.281
Hz ppm Int.2801.27 7.010 57 2797.49 7.000 86 2796.75 6.998 99 2795.90 6.996 93 2795.04 6.994 81 2792.24 6.987 339 2791.75 6.986 348 2788.94 6.979 288 2784.55 6.968 90 2779.42 6.955 43 2775.02 6.944 26 922.12 2.308 50 911.62 2.282 1000 901.98 2.257 26 901.37 2.256 26
in CDCl3
liquid film
