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2986-17-6

1,3-二异丙基-2-硫脲(2986-17-6)质谱(MS)

分子式:C7H16N2S

分子量: 160.28

InChI:InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)

InChIKey: KREOCUNMMFZOOS-UHFFFAOYSA-N

Smiles:N(C(C)C)C(NC(C)C)=S

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    Mass

    MS-NW-0196          
    1,3-diisopropylthiourea
    C7H16N2S            (Mass of molecular ion:    160)
    

       Source Temperature: 200 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          15.0       1.5
          18.0       2.2
          27.0       6.4
          28.0       3.8
          30.0       1.6
          39.0       4.0
          41.0      12.8
          42.0       7.1
          43.0      14.3
          44.0      11.7
          57.0       1.4
          58.0     100.0
          59.0       3.7
          60.0      10.5
          62.0       1.0
          64.0       1.3
          69.0       2.4
          70.0       3.1
          75.0       1.7
          85.0       4.7
          90.0       1.1
         102.0       1.0
         103.0       1.1
         117.0       3.3
         159.0       2.7
         160.0      42.1
         161.0       4.3
         162.0       2.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H16 N2 S 0.040 g : 0.5 ml CDCl3
    1,3-diisopropylthiourea
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.80 B 4.24 C 1.236

         Hz     ppm     Int.
    

        113.88   1.272   1000
        110.13   1.230     33
        107.38   1.199    942
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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