5718-83-2

3-羧甲基绕丹宁(5718-83-2)Raman光谱

产品名称:3-羧甲基绕丹宁

CAS:5718-83-2

分子式:C5H5NO3S2

分子量: 191.23

InChI:InChI=1S/C5H5NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)

InChIKey: JGRMXPSUZIYDRR-UHFFFAOYSA-N

Smiles:S1CC(=O)N(CC(O)=O)C1=S

IR1

IR2

Raman

Mass

MS-NW-4634          
4-oxo-2-thioxo-3-thiazolidineacetic acid
C5H5NO3S2           (Mass of molecular ion:    191)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       3.8
      15.0       2.8
      17.0       2.7
      18.0      11.6
      28.0      11.4
      29.0       2.4
      30.0       2.1
      31.0       3.2
      32.0       2.7
      40.0       1.6
      41.0       1.7
      42.0      19.0
      43.0       4.6
      44.0       4.7
      45.0      29.3
      46.0      55.7
      47.0       4.7
      48.0       2.6
      56.0       3.0
      58.0       1.6
      59.0       4.4
      60.0       3.9
      61.0       2.6
      64.0      21.0
      66.0       1.9
      69.0       5.6
      70.0       3.2
      71.0       3.7
      72.0      57.2
      73.0       7.8
      74.0      12.0
      76.0       8.3
      77.0       6.6
      78.0       8.9
      86.0       2.1
      87.0       2.6
      89.0       1.6
      90.0       6.7
      91.0       1.8
      97.0       1.7
      99.0       6.0
     100.0       1.2
     104.0       4.4
     105.0       1.6
     106.0       1.2
     115.0      21.4
     116.0      17.4
     117.0      10.7
     118.0      17.1
     119.0       1.6
     120.0       1.0
     145.0       4.1
     146.0       2.8
     147.0       2.2
     149.0       7.9
     163.0       1.2
     173.0      15.7
     174.0       1.5
     175.0       1.7
     191.0     100.0
     192.0       7.8
     193.0      10.4

KBr disc