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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>349-96-2更多圖譜> 對硝基苯甲磺酰氟(349-96-2)質(zhì)譜(MS)

349-96-2

對硝基苯甲磺酰氟(349-96-2)質(zhì)譜(MS)

產(chǎn)品名稱:對硝基苯甲磺酰氟

CAS:349-96-2

分子式:C6H4FNO4S

分子量: 205.16

InChI:InChI=1S/C6H4FNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H

InChIKey: HRLAPUHJWRZEIC-UHFFFAOYSA-N

Smiles:C1(S(F)(=O)=O)=CC=C([N+]([O-])=O)C=C1

  • 圖譜
    Mass

    MS-NW-8014          
    p-nitrobenzenesulfonyl fluoride
    C6H4FNO4S           (Mass of molecular ion:    205)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          28.0       4.2
          30.0      55.4
          37.0       2.5
          38.0       5.3
          39.0       3.7
          44.0       1.2
          45.0       1.6
          49.0       1.1
          50.0      40.6
          51.0       4.5
          52.0       6.9
          53.0       1.3
          57.0       1.4
          59.0       1.2
          61.0       1.7
          62.0       3.6
          63.0      14.7
          64.0      27.6
          65.0       1.5
          67.0      18.7
          69.0       2.5
          73.0       2.7
          74.0      19.1
          75.0      74.6
          76.0      25.3
          77.0       1.6
          79.0       1.9
          80.0      12.1
          82.0       2.2
          83.0      11.3
          92.0      74.5
          93.0       5.4
          95.0      14.1
          96.0       1.2
         101.0       1.0
         107.0       2.5
         108.0       5.2
         110.0       1.3
         111.0       1.8
         122.0       3.2
         147.0       1.9
         159.0      54.7
         160.0       4.4
         161.0       2.8
         175.0       2.1
         189.0       2.7
         205.0     100.0
         206.0       8.5
         207.0       5.8
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C6 H4 F N O4 S 0.031 g : 0.5 ml CDCl3
    p-nitrobenzenesulfonyl fluoride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.501 B 8.258

         Hz     ppm     Int.
    

       3405.52   8.522     71
       3404.66   8.520     97
       3403.32   8.516    498
       3402.34   8.514    597
       3400.27   8.509    191
       3396.24   8.499    203
       3394.17   8.493    700
       3393.19   8.491    629
       3390.99   8.485    103
       3308.96   8.280     24
       3306.76   8.275    134
       3304.44   8.269   1000
       3302.61   8.264    287
       3297.49   8.251    262
       3295.65   8.247    820
       3293.33   8.241    105
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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