4815-30-9

5-氨基-3-甲基-2，4-噻酚二羧酸二乙酯(4815-30-9)質(zhì)譜(MS)

產(chǎn)品名稱:5-氨基-3-甲基-2，4-噻酚二羧酸二乙酯

CAS:4815-30-9

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

¹HNMR

IR1

IR2

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

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

    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