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610-66-2

邻硝基苯乙腈(610-66-2)核磁图(1HNMR)

产品名称:邻硝基苯乙腈

CAS:610-66-2

分子式:C8H6N2O2

分子量: 162.15

InChI:InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2

InChIKey: YPRFCQAWSNWRLM-UHFFFAOYSA-N

Smiles:C1(CC#N)=CC=CC=C1[N+]([O-])=O

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    Mass

    MS-NW-8747          
    (o-nitrophenyl)acetonitrile
    C8H6N2O2            (Mass of molecular ion:    162)
    

       Source Temperature: 160 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       4.9
          27.0       2.5
          28.0       4.9
          30.0       5.1
          37.0       3.2
          38.0       6.5
          39.0      23.8
          40.0       2.1
          41.0       3.3
          49.0       1.1
          50.0      15.0
          51.0      14.5
          52.0       9.3
          53.0       1.0
          54.0       2.7
          58.0       1.1
          61.0       4.4
          62.0      13.5
          63.0      36.4
          64.0      17.9
          65.0      13.8
          66.0       2.4
          74.0       5.5
          75.0       6.5
          76.0       8.4
          77.0      26.0
          78.0       6.9
          79.0      31.7
          80.0       2.3
          86.0       1.9
          87.0       4.6
          88.0      15.3
          89.0     100.0
          90.0      37.5
          91.0      36.9
          92.0      23.5
          93.0       3.2
         102.0       1.6
         103.0       1.6
         104.0       7.0
         105.0       7.6
         106.0       1.4
         107.0       1.7
         114.0      12.3
         115.0      21.7
         116.0      43.1
         117.0      23.5
         118.0      11.8
         119.0       5.0
         120.0       3.3
         132.0       1.8
         135.0      97.5
         136.0       8.0
         145.0      11.9
         146.0       1.6
         162.0       9.4
         163.0       1.6
    

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in CDCl3

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KBr disc

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nujol mull

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