1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE(2778-42-9) IR1
Product Name1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE
CAS2778-42-9
Molecular FormulaC14H16N2O2
Molecular Weight244.29
InChIInChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3
InChIKey AZYRZNIYJDKRHO-UHFFFAOYSA-N
SmilesC1(C(N=C=O)(C)C)=CC=CC(C(N=C=O)(C)C)=C1
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MassMS-IW-2610 1,1'-(m-phenylene)bis(isopropyl isocyanate) C14H16N2O2 (Mass of molecular ion: 244)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.7 28.0 1.7 39.0 1.9 41.0 3.3 42.0 1.2 50.0 1.0 51.0 1.8 56.0 4.3 76.0 1.5 77.0 2.2 79.0 1.9 79.5 1.9 84.0 11.5 89.0 1.1 90.0 1.4 91.0 3.5 102.0 1.7 103.0 1.5 107.0 6.0 115.0 3.8 116.0 2.4 117.0 5.4 118.0 1.7 128.0 1.6 131.0 1.4 133.0 1.0 143.0 3.0 145.0 2.4 146.0 1.1 158.0 3.9 159.0 2.4 160.0 1.2 186.0 16.9 187.0 2.8 188.0 1.1 201.0 2.6 202.0 5.5 229.0 100.0 230.0 15.1 231.0 1.5 244.0 9.1 245.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H16 N2 O2 0.053 g : 0.5 ml CDCl3 1,1'-(m-phenylene)bis(isopropyl isocyanate) 
Assign. Shift(ppm)
A 7.534 B 7.34 C 1.736 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.3013.06 7.540 30 3011.84 7.537 45 3010.50 7.533 47 3008.67 7.529 26 2934.69 7.344 240 2933.35 7.340 228 693.73 1.736 1000
in CDCl3
liquid film
