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Back ChemicalBook Home>CAS DataBase List>2778-42-9More Spectrum> 1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE(2778-42-9) 1H NMR

1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE(2778-42-9) 1H NMR

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


  • Mass

    MS-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


  • 1H NMR 399.65 MHz
    C14 H16 N2 O2 0.053 g : 0.5 ml CDCl3
    1,1'-(m-phenylene)bis(isopropyl isocyanate)
    ChemicalStructure
        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



1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE(2778-42-9) 1H NMR Atlas of Related Products

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