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6602-54-6

2-氯-3-氰基吡啶(6602-54-6)红外图谱(IR1)

产品名称:2-氯-3-氰基吡啶

CAS:6602-54-6

分子式:C6H3ClN2

分子量: 138.55

InChI:InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H

InChIKey: JAUPUQRPBNDMDT-UHFFFAOYSA-N

Smiles:C1(Cl)=NC=CC=C1C#N

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    Mass

    MS-IW-7212          
    2-chloro-3-pyridinecarbonitrile
    C6H3ClN2            (Mass of molecular ion:    138)
    

       Source Temperature: 120 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          26.0       2.5
          28.0       2.0
          37.0       1.7
          38.0       2.1
          39.0       1.0
          49.0       2.0
          50.0       6.8
          51.0       5.8
          52.0       2.7
          62.0       1.5
          69.0       2.1
          74.0       1.0
          75.0       8.2
          76.0      23.2
          77.0       4.1
          85.0       2.2
          87.0       1.1
         101.0       1.2
         103.0     100.0
         104.0       7.4
         138.0      98.8
         139.0       8.4
         140.0      32.2
         141.0       2.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 Cl N2 0.039 g : 0.5 ml CDCl3
    2-chloro-3-pyridinecarbonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.636 B 8.052 C 7.435

         Hz     ppm     Int.
    

       3454.83   8.645    398
       3452.88   8.640    427
       3449.83   8.633    424
       3448.00   8.628    421
       3223.02   8.065    852
       3221.07   8.060    871
       3218.38   8.053     39
       3215.33   8.046   1000
       3213.38   8.041    973
       2977.54   7.451    825
       2972.66   7.439    840
       2969.85   7.432    813
       2964.97   7.419    785
    

in CDCl3

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KBr disc

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nujol mull

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