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返回ChemicalBook首页>CAS数据库列表>53266-94-7更多图谱> 2-氨基-4-噻唑乙酸乙酯(53266-94-7)Raman光谱

53266-94-7

2-氨基-4-噻唑乙酸乙酯(53266-94-7)Raman光谱

分子式:C7H10N2O2S

分子量: 186.23

InChI:InChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)

InChIKey: SHQNGLYXRFCPGZ-UHFFFAOYSA-N

Smiles:S1C=C(CC(OCC)=O)N=C1N

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    Mass

    MS-IW-0778          
    ethyl (2-amino-4-thiazolyl)acetate
    C7H10N2O2S          (Mass of molecular ion:    186)
    

       Source Temperature: 190 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          17.0       1.4
          18.0       7.5
          27.0       5.0
          28.0       2.7
          29.0      19.8
          31.0       3.4
          39.0       1.6
          40.0       1.5
          41.0       1.8
          42.0       3.7
          43.0      14.1
          44.0       2.7
          45.0      14.4
          46.0       1.1
          55.0       2.0
          56.5       3.3
          60.0       2.1
          67.0       1.7
          69.0       9.0
          70.0       2.5
          71.0      22.1
          72.0       8.2
          73.0       1.8
          81.0       1.4
          85.0       1.3
          86.0      10.7
          87.0       1.9
         112.0       1.5
         113.0     100.0
         114.0      57.0
         115.0       8.3
         116.0       2.9
         127.0       1.2
         140.0       4.7
         141.0       5.9
         186.0      66.9
         187.0       7.9
         188.0       3.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H10 N2 O2 S 0.039 g : 0.5 ml CDCl3
    ethyl (2-amino-4-thiazolyl)acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.302 B 5.6 C 4.168 D 3.544 E 1.261

         Hz     ppm     Int.
    

       2518.68   6.303    402
       1676.76   4.196    155
       1669.56   4.178    462
       1662.48   4.160    462
       1655.27   4.142    165
       1416.75   3.545    680
       1416.02   3.544    685
        511.11   1.279    519
        504.03   1.262   1000
        496.83   1.244    512
    

in CDCl3

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KBr disc

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nujol mull

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