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149-32-6

赤蘚糖醇(149-32-6)紅外圖譜(IR1)

產(chǎn)品名稱:赤蘚糖醇

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|

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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