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返回ChemicalBook首页>CAS数据库列表>52373-72-5更多图谱> (R)-(+)-2,2-二甲基-1,3-二氧戊环-4-羧酸甲酯(52373-72-5)核磁图(13CNMR)

52373-72-5

(R)-(+)-2,2-二甲基-1,3-二氧戊环-4-羧酸甲酯(52373-72-5)核磁图(13CNMR)

分子式:C7H12O4

分子量: 160.17

InChI:InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1

InChIKey: DOWWCCDWPKGNGX-RXMQYKEDSA-N

Smiles:O1C[C@H](C(OC)=O)OC1(C)C

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    Mass

    MS-KW-0167          
    methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
    C7H12O4             (Mass of molecular ion:    160)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      10.4
          27.0       3.1
          28.0       4.1
          29.0       5.0
          30.0       1.0
          31.0       4.9
          32.0       1.2
          33.0       2.1
          39.0       3.0
          40.0       1.0
          41.0       7.2
          42.0       6.8
          43.0     100.0
          44.0       4.0
          45.0       1.9
          55.0       3.0
          58.0       5.0
          59.0      10.5
          60.0       1.0
          61.0       6.5
          71.0       3.4
          72.0       2.5
          73.0      11.8
          75.0       1.0
          83.0       1.4
          90.0       2.3
         101.0      27.4
         102.0       1.9
         103.0       1.5
         117.0       2.7
         145.0      45.1
         146.0       3.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H12 O4 0.05 ml : 0.5 ml CDCl3
    methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.609 B *1 4.248 C *1 4.113 E 3.783 F *2 1.498 G *2 1.407

         Hz     ppm     Int.
    

       1848.63   4.626     94
       1843.51   4.613    105
       1841.43   4.608    105
       1836.30   4.595    104
       1706.30   4.270    136
       1698.97   4.252    136
       1697.63   4.248    187
       1690.31   4.230    160
       1650.27   4.130    181
       1645.14   4.117    174
       1641.60   4.108    135
       1636.47   4.095    131
       1516.60   3.795     35
       1512.08   3.784   1000
        602.78   1.509     49
        599.00   1.499    550
        598.39   1.498    546
        562.87   1.409    589
        562.26   1.407    575
    

in CDCl3

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