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返回ChemicalBook首页>CAS数据库列表>2131-59-1更多图谱> 异硫氰的3-溴苯酯(2131-59-1)红外图谱(IR1)

2131-59-1

异硫氰的3-溴苯酯(2131-59-1)红外图谱(IR1)

分子式:C7H4BrNS

分子量: 214.08

InChI:InChI=1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChIKey: ZMGMGHNOACSMQN-UHFFFAOYSA-N

Smiles:C1(Br)=CC=CC(N=C=S)=C1

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    Mass

    MS-IW-9455          
    m-bromophenyl isothiocyanate
    C7H4BrNS            (Mass of molecular ion:    213)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.0
          32.0       1.2
          37.0       4.5
          38.0       4.8
          39.0       5.2
          44.0       2.3
          45.0       1.5
          49.0       2.2
          50.0      22.4
          51.0       6.5
          52.0       1.2
          61.0       2.2
          62.0       3.2
          63.0       9.4
          64.0       5.4
          66.5       2.6
          67.0      11.6
          67.5       1.1
          69.0       1.6
          70.0       2.2
          73.0       2.1
          74.0      10.1
          75.0      27.0
          76.0      19.8
          77.0       1.4
          81.0       1.0
          82.0       1.3
          83.0       1.8
          84.0       1.2
          88.0       1.3
          90.0      17.6
          91.0       1.3
         102.0       5.3
         106.5       5.9
         107.0       6.5
         107.5       6.0
         108.0       2.2
         133.0       3.2
         134.0      67.2
         135.0       6.2
         136.0       3.3
         155.0      22.0
         156.0       1.6
         157.0      21.5
         158.0       1.5
         183.0       1.0
         213.0      98.2
         214.0       9.1
         215.0     100.0
         216.0       9.1
         217.0       4.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H4 Br N S 0.05 ml : 0.5 ml CDCl3
    m-bromophenyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.372 B 7.325 C 7.189 D 7.113

         Hz     ppm     Int.
    

       2952.27   7.388    363
       2951.17   7.385    394
       2950.44   7.383    453
       2949.34   7.380    434
       2944.34   7.368    456
       2943.24   7.365    479
       2942.50   7.363    539
       2941.41   7.360    513
       2929.44   7.331    641
       2927.49   7.326    998
       2925.54   7.321    549
       2881.71   7.211    495
       2873.66   7.191   1000
       2865.72   7.171    628
       2847.29   7.125    530
       2846.19   7.122    572
       2845.34   7.120    525
       2844.24   7.117    505
       2841.67   7.111     49
       2839.23   7.105    341
       2838.13   7.102    343
       2837.28   7.100    350
       2836.18   7.097    317
    

in CDCl3

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liquid film

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