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7164-43-4

5-氨基乳清酸(7164-43-4)Raman光谱

产品名称:5-氨基乳清酸

CAS:7164-43-4

分子式:C5H5N3O4

分子量: 171.11

InChI:InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

InChIKey: HWCXJKLFOSBVLH-UHFFFAOYSA-N

Smiles:C1(=O)NC(=O)C(N)=C(C(O)=O)N1

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    Mass

    MS-NW-7061          
    5-amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
    C5H5N3O4            (Mass of molecular ion:    171)
    

       Source Temperature: 170 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          16.0       1.5
          17.0       3.0
          18.0       8.1
          27.0       8.8
          28.0      84.0
          29.0      11.4
          38.0       1.1
          39.0       1.4
          40.0       2.1
          41.0       2.2
          42.0       1.6
          43.0       3.9
          44.0      17.9
          45.0      24.1
          46.0       1.6
          53.0       9.9
          54.0      31.5
          55.0      14.1
          56.0      19.5
          57.0       2.1
          67.0       1.4
          68.0       2.2
          69.0       1.0
          70.0       4.5
          71.0       3.2
          72.0      13.0
          73.0       8.4
          82.0      18.7
          83.0       2.2
          84.0       2.7
          97.0       1.7
          99.0       2.5
         100.0      15.1
         110.0       1.6
         125.0       8.5
         126.0       2.9
         127.0      24.2
         128.0       1.9
         153.0      22.3
         154.0       2.3
         171.0     100.0
         172.0       7.0
         173.0       1.3
    

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in DMSO-d6

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KBr disc

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nujol mull

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