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834-12-8

莠灭净(834-12-8)核磁图(1HNMR)

产品名称:莠灭净

CAS:834-12-8

分子式:C9H17N5S

分子量: 227.33

InChI:InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)

InChIKey: RQVYBGPQFYCBGX-UHFFFAOYSA-N

Smiles:N1=C(SC)N=C(NC(C)C)N=C1NCC

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    Mass

    MS2006-03102WA      
    ametryn
    C9H17N5S            (Mass of molecular ion:    227)
    

       Source Temperature: 250 °C
       Sample Temperature:  60 °C
       Direct, 70 eV
    

          15.0       1.4
          18.0       2.0
          27.0       5.3
          28.0       4.1
          29.0       4.8
          30.0       2.0
          39.0       1.5
          41.0       6.3
          42.0       7.4
          43.0      19.1
          44.0       9.0
          45.0       1.7
          46.0       1.0
          47.0       2.0
          53.0       1.2
          55.0       3.9
          56.0       1.2
          57.0       1.6
          58.0      27.3
          59.0       1.5
          67.0       1.3
          68.0      22.5
          69.0      14.7
          70.0       2.3
          71.0      12.1
          72.0       1.2
          74.0       8.9
          83.0       3.3
          85.0       5.9
          93.0       3.6
          94.0       3.7
          95.0       1.9
          96.0       8.6
          97.0       2.0
          98.5      16.2
          99.0       4.7
         100.0       1.8
         105.5       1.3
         106.0       6.0
         110.0       2.3
         111.0       4.1
         113.0       1.0
         116.0       1.8
         117.0       1.0
         122.0       6.0
         123.0       3.4
         127.0       1.9
         128.0       1.5
         136.0       1.6
         137.0       2.4
         138.0       9.1
         139.0       4.2
         140.0       1.2
         141.0       1.6
         142.0       5.2
         144.0       2.4
         152.0       4.3
         155.0      11.9
         156.0       3.1
         157.0       7.4
         164.0       1.0
         166.0       1.6
         169.0       6.4
         170.0      27.3
         171.0       5.6
         172.0       1.5
         181.0       5.4
         184.0      16.4
         185.0      24.4
         186.0       3.2
         187.0       1.2
         196.0       1.3
         198.0       1.0
         199.0       2.4
         210.0       1.3
         212.0      66.6
         213.0       7.7
         214.0       3.3
         226.0       8.3
         227.0     100.0
         228.0      14.1
         229.0       5.2
    

in CDCl3

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in CDCl3

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KBr disk

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Nujol

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