53266-94-7

2-氨基-4-噻唑乙酸乙酯(53266-94-7)Raman光谱

产品名称:2-氨基-4-噻唑乙酸乙酯

CAS:53266-94-7

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

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

¹H NMR	399.65 MHz
C₇ H₁₀ N₂ O₂ S	0.039 g : 0.5 ml CDCl₃
ethyl (2-amino-4-thiazolyl)acetate

    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