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返回ChemicalBook首页>CAS数据库列表>4815-30-9更多图谱> 5-氨基-3-甲基-2,4-噻酚二羧酸二乙酯(4815-30-9)红外图谱(IR2)

4815-30-9

5-氨基-3-甲基-2,4-噻酚二羧酸二乙酯(4815-30-9)红外图谱(IR2)

分子式:C11H15NO4S

分子量: 257.31

InChI:InChI=1S/C11H15NO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5,12H2,1-3H3

InChIKey: DGVXLHAJVRRLGV-UHFFFAOYSA-N

Smiles:C1(C(OCC)=O)SC(N)=C(C(OCC)=O)C=1C

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    Mass

    MS-IW-8162          
    diethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate
    C11H15NO4S          (Mass of molecular ion:    257)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       1.8
          28.0       1.2
          29.0       3.8
          39.0       2.4
          45.0       1.8
          66.0       6.5
          67.0       5.1
          68.0       2.1
          72.0       1.3
          83.0       1.4
          83.5       1.2
          84.0       1.3
          85.0       1.1
          99.0       1.3
         100.0       1.9
         110.0       4.3
         111.0       4.9
         112.0       1.1
         126.0       2.0
         127.0       2.7
         128.0       1.2
         137.0       2.9
         138.0       1.8
         139.0      13.7
         140.0       1.5
         141.0       1.0
         154.0       3.5
         155.0       2.4
         156.0       1.3
         165.0       8.1
         166.0      20.3
         167.0      10.1
         168.0       2.0
         182.0       7.1
         183.0      36.0
         184.0       9.2
         185.0       7.0
         200.0       1.1
         211.0     100.0
         212.0      31.7
         213.0       8.1
         214.0       1.8
         229.0       1.2
         257.0      82.8
         258.0      11.7
         259.0       5.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C11 H15 N O4 S 0.040 g : 0.5 ml CDCl3
    diethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.58 B *1 4.308 C *1 4.260 D 2.699 E *2 1.371 F *2 1.326

         Hz     ppm     Int.
    

        589.25   6.580     42
        397.00   4.433     56
        392.56   4.384     59
        389.81   4.353    197
        385.38   4.304    196
        382.69   4.274    212
        378.31   4.225    206
        375.63   4.195     74
        371.25   4.146     66
        241.81   2.700   1000
        129.81   1.450    210
        125.81   1.405    219
        122.75   1.371    442
        118.75   1.326    448
        115.63   1.292    199
        111.56   1.246    192
    

KBr disc

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nujol mull

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