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64-55-1

美布氨酯(64-55-1)质谱(MS)

产品名称:美布氨酯

CAS:64-55-1

分子式:C10H20N2O4

分子量: 232.28

InChI:InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)

InChIKey: LEROTMJVBFSIMP-UHFFFAOYSA-N

Smiles:C(OC(=O)N)C(C)(C(C)CC)COC(=O)N

  • 图谱
    Mass

    MS-IW-4009          
    2-sec-butyl-2-methyltrimethylene dicarbamate
    C10H20N2O4          (Mass of molecular ion:    232)
    

       Source Temperature: 170 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       1.2
          17.0       2.4
          18.0      13.7
          27.0       6.0
          28.0       4.2
          29.0      19.3
          30.0       1.3
          31.0       8.3
          39.0       6.5
          40.0       1.2
          41.0      42.4
          42.0       8.6
          43.0      57.8
          44.0      14.0
          45.0       9.0
          46.0       1.9
          53.0       4.2
          54.0       4.2
          55.0      82.6
          56.0      15.3
          57.0      43.2
          58.0       5.0
          59.0      15.2
          62.0      32.7
          67.0       5.6
          68.0       3.6
          69.0      56.8
          70.0      40.1
          71.0      46.7
          72.0      56.4
          73.0      16.2
          74.0       1.4
          75.0      16.5
          76.0       1.0
          79.0       1.8
          81.0       7.4
          82.0       3.8
          83.0      16.8
          84.0       9.1
          85.0       6.3
          89.0       1.4
          92.0       2.7
          95.0      14.6
          96.0       2.3
          97.0     100.0
          98.0      57.7
          99.0       9.4
         100.0       3.1
         110.0      17.8
         111.0       2.5
         113.0       1.1
         114.0       3.7
         115.0      15.1
         116.0       3.0
         128.0       7.3
         132.0       2.2
         135.0       1.2
         158.0      17.6
         159.0       1.7
         175.0       2.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H20 N2 O4 0.045 g : 0.5 ml CDCl3
    2-sec-butyl-2-methyltrimethylene dicarbamate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.2 B *1 4.004 C *1 3.986 D *1 3.983 E *1 3.946 F 1.539 G 1.425 J 0.97 K 0.904 L 0.866 M 0.822 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       2079.96   5.205     33
       1609.13   4.027     55
       1600.34   4.005    120
       1598.39   4.000    256
       1593.99   3.989    248
       1589.48   3.978    243
       1583.13   3.962     66
       1579.96   3.954    226
       1569.21   3.927     85
        569.95   1.427     38
        566.28   1.417     31
        397.34   0.995     31
        391.11   0.979     31
        386.60   0.968     32
        384.28   0.962     32
        373.90   0.936     36
        367.31   0.920    225
        360.35   0.902    299
        353.27   0.884    128
        352.05   0.881     96
        349.49   0.875    398
        342.65   0.858    372
        328.49   0.822   1000
    

in CDCl3

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KBr disc

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nujol mull

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