1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE(2778-42-9) ¹³C NMR

Product Name1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE

CAS 2778-42-9

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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¹HNMR

¹³CNMR

IR1

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)

    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