1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>2285-12-3更多圖譜> 間三氟甲苯異氰酸酯(2285-12-3)核磁圖(1HNMR)

2285-12-3

間三氟甲苯異氰酸酯(2285-12-3)核磁圖(1HNMR)

產(chǎn)品名稱(chēng):間三氟甲苯異氰酸酯

CAS:2285-12-3

分子式:C8H4F3NO

分子量: 187.12

InChI:InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H

InChIKey: GZWGTVZRRFPVAS-UHFFFAOYSA-N

Smiles:C1(N=C=O)=CC=CC=C1C(F)(F)F

  • 圖譜
    Mass

    MS-IW-2192          
    alpha,alpha,alpha-trifluoro-o-tolyl isocyanate
    C8H4F3NO            (Mass of molecular ion:    187)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       1.3
          31.0       1.2
          37.0       2.2
          38.0       3.0
          39.0       4.3
          47.0       1.1
          50.0       2.8
          51.0       3.0
          52.0       1.0
          57.0       1.5
          61.0       1.3
          62.0       2.4
          63.0       7.8
          64.0       4.5
          69.0       5.5
          70.0       1.1
          74.0       1.0
          75.0       3.8
          79.5       1.2
          81.0       1.4
          82.0       1.6
          84.0       1.1
          87.0       1.0
          88.0       3.1
          89.0       1.3
          90.0       5.3
          93.5       1.7
          95.0       2.1
         108.0       2.1
         109.0      13.0
         112.0       1.5
         113.0       2.2
         114.0       1.8
         120.0       1.4
         132.0       6.6
         133.0       1.0
         137.0       6.4
         138.0       1.4
         139.0       8.7
         140.0       2.9
         145.0       8.1
         158.0       1.6
         159.0      10.8
         161.0       1.1
         168.0      15.9
         169.0       1.5
         186.0       2.4
         187.0     100.0
         188.0       9.2
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H4 F3 N O 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,alpha-trifluoro-o-tolyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.607 B 7.483 C 7.267 D 7.196

         Hz     ppm     Int.
    

       3045.04   7.620    739
       3044.56   7.619    757
       3044.07   7.617    762
       3043.58   7.616    748
       3037.11   7.600    794
       3036.74   7.599    821
       3036.25   7.598    832
       3035.64   7.596    822
       2999.76   7.506    317
       2999.15   7.505    378
       2998.29   7.503    375
       2997.56   7.501    355
       2991.58   7.486    743
       2991.21   7.485    766
       2990.60   7.484    748
       2990.23   7.483    734
       2984.25   7.468    438
       2983.64   7.466    500
       2982.67   7.464    497
       2982.06   7.462    438
       2912.35   7.288    395
       2911.25   7.285    557
       2910.40   7.283    465
       2904.54   7.268    671
       2903.69   7.266    905
       2902.83   7.264    745
       2896.97   7.249    314
       2896.12   7.247    416
       2895.75   7.246    423
       2894.90   7.244    351
       2879.76   7.206   1000
       2871.70   7.186    880
    

liquid film

  • 圖譜

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