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149-32-6

赤藓糖醇(149-32-6)质谱(MS)

产品名称:赤藓糖醇

CAS:149-32-6

分子式:C4H10O4

分子量: 122.12

InChI:InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+

InChIKey: UNXHWFMMPAWVPI-ZXZARUISNA-N

Smiles:C(O)[C@@H](O)[C@@H](O)CO |&1:2,4,r|

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    Mass

    MS-NW-4565          
    erythritol
    C4H10O4             (Mass of molecular ion:    122)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0      13.9
          17.0       1.9
          18.0       8.8
          19.0      14.6
          26.0       1.4
          27.0       8.6
          28.0       6.7
          29.0      14.3
          30.0       2.3
          31.0      31.5
          32.0       1.8
          39.0       1.6
          41.0       1.4
          42.0       9.0
          43.0      61.1
          44.0      96.2
          45.0      28.7
          46.0       1.2
          47.0       1.8
          55.0       6.3
          56.0      12.5
          57.0       2.8
          60.0      15.4
          61.0     100.0
          62.0       7.5
          73.0      13.2
          74.0      13.8
          91.0      20.2
         104.0       1.4
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C4 H10 O4 0.034 g : 0.5 ml D2O
    erythritol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.778 B 3.68 C *1 3.61 THE SOLVENT PEAK SUPPRESSED.

         Hz     ppm     Int.
    

       1517.82   3.798    465
       1515.75   3.793    729
       1506.35   3.770    777
       1504.76   3.766   1000
       1475.59   3.693    348
       1474.00   3.689    578
       1472.53   3.685    394
       1471.07   3.681    557
       1468.38   3.675    898
       1462.77   3.661    411
       1459.23   3.652    779
       1457.76   3.648    519
       1452.39   3.635    354
       1448.00   3.624    484
       1446.53   3.620    333
       1441.41   3.607    320
    

in D2O

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KBr disc

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nujol mull

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