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87-99-0

木糖醇(87-99-0)核磁图(13CNMR)

产品名称:木糖醇

CAS:87-99-0

分子式:C5H12O5

分子量: 152.15

InChI:InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+

InChIKey: HEBKCHPVOIAQTA-SCDXWVJYSA-N

Smiles:OC[C@@H]([C@H]([C@@H](CO)O)O)O

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    Mass

    MS-NW-1778          
    xylitol
    C5H12O5             (Mass of molecular ion:    152)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          14.0       1.5
          15.0      23.3
          18.0       3.7
          19.0      22.8
          26.0       1.5
          27.0      10.6
          28.0      17.1
          29.0      17.5
          30.0       2.8
          31.0      32.5
          32.0       1.5
          39.0       2.0
          41.0       2.2
          42.0       7.8
          43.0      53.5
          44.0      51.5
          45.0      31.6
          46.0       1.7
          47.0       1.7
          55.0      10.0
          56.0      32.2
          57.0      13.1
          59.0       1.0
          60.0      12.0
          61.0     100.0
          62.0       4.6
          71.0       2.6
          72.0       2.5
          73.0      36.3
          74.0      48.1
          75.0       2.4
          85.0       6.7
          91.0      35.2
          92.0       1.2
         103.0      24.5
         104.0       1.6
         121.0       1.3
    

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in D2O

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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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