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返回ChemicalBook首页>CAS数据库列表>101-68-8更多图谱> 4,4'-亚甲基双(异氰酸苯酯)(101-68-8)核磁图(1HNMR)

101-68-8

4,4'-亚甲基双(异氰酸苯酯)(101-68-8)核磁图(1HNMR)

分子式:C15H10N2O2

分子量: 250.25

InChI:InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2

InChIKey: UPMLOUAZCHDJJD-UHFFFAOYSA-N

Smiles:C(C1=CC=C(N=C=O)C=C1)C1=CC=C(N=C=O)C=C1

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    Mass

    MS-NW-0644          
    methylenedi(p-phenylene) diisocyanate
    C15H10N2O2          (Mass of molecular ion:    250)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          27.0       1.9
          28.0       1.3
          38.0       1.7
          39.0       5.7
          50.0       3.3
          51.0       7.6
          52.0       2.4
          62.0       2.2
          63.0       6.3
          64.0       3.1
          69.5       1.3
          74.0       1.0
          75.0       2.1
          76.0       6.7
          77.0      11.6
          78.0       4.3
          83.0       1.4
          83.5       1.2
          88.0       1.2
          89.0       2.1
          89.5       1.0
          90.0       4.8
          91.0       1.4
          96.5       1.0
         102.0       1.8
         103.0       5.0
         104.0       3.4
         111.0       1.0
         114.0       1.1
         115.0       1.4
         116.0       1.0
         119.0       1.1
         125.0       2.0
         127.0       1.4
         132.0      20.0
         133.0       1.9
         139.0       1.6
         140.0       2.9
         141.0       1.0
         151.0       2.4
         152.0       3.0
         153.0       2.8
         156.0       1.4
         164.0       1.2
         165.0      11.4
         166.0       5.6
         167.0       1.6
         177.0       1.4
         178.0       2.0
         179.0       1.4
         180.0      13.4
         181.0       2.1
         190.0       1.2
         192.0       1.0
         193.0       2.9
         194.0       3.4
         195.0       1.5
         206.0       6.1
         207.0       3.6
         208.0      54.7
         209.0       8.6
         221.0      26.8
         222.0       6.4
         249.0      12.7
         250.0     100.0
         251.0      16.7
         252.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C15 H10 N2 O2 0.038 g : 0.5 ml CDCl3
    methylenedi(p-phenylene) diisocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.898 B 6.90 to 7.16

         Hz     ppm     Int.
    

        640.13   7.148    101
        639.38   7.140     79
        637.44   7.118     59
        636.50   7.107     32
        634.25   7.082     83
        631.56   7.052    746
        629.50   7.029    360
        628.25   7.015   1000
        625.50   6.985    150
        624.44   6.973     46
        623.75   6.965     30
        622.31   6.949     80
        620.38   6.927    102
        619.50   6.918    149
        618.25   6.904     38
        349.13   3.899    429
    

in CDCl3

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KBr disc

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nujol mull

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