5624-27-1

苯基硫代乙内酰脲-谷氨酸(5624-27-1)红外图谱(IR1)

产品名称:苯基硫代乙内酰脲-谷氨酸

CAS:5624-27-1

分子式:C12H12N2O3S

分子量: 264.3

InChI:InChI=1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)

InChIKey: ULKNJYDXLYMGFB-UHFFFAOYSA-N

Smiles:C1(=S)N(C2=CC=CC=C2)C(=O)C(CCC(O)=O)N1

IR1

IR2

Mass

MS-NW-2041          
1-phenyl-5-oxo-2-thioxo-4-imidazolidinepropionic acid
C12H12N2O3S         (Mass of molecular ion:    264)

   Source Temperature: 210 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.4
      17.0       3.4
      18.0      18.1
      26.0       3.0
      27.0      11.9
      28.0      15.9
      29.0       4.0
      30.0       1.3
      32.0       3.3
      33.0       1.6
      34.0       4.8
      37.0       1.9
      38.0       4.1
      39.0      17.9
      40.0       2.8
      41.0      11.8
      42.0       4.1
      43.0       3.3
      44.0      19.9
      45.0       4.4
      50.0       7.5
      51.0      27.1
      52.0       4.7
      53.0       1.5
      54.0      12.4
      55.0      28.8
      56.0       4.7
      57.0       2.1
      58.0       3.2
      59.0       5.4
      60.0       6.0
      61.0       1.0
      62.0       1.5
      63.0       5.0
      64.0       6.3
      65.0       6.1
      66.0       2.1
      67.0       1.6
      67.5       2.2
      68.0       2.4
      69.0       1.7
      70.0       4.3
      71.0       2.5
      72.0       4.8
      73.0       2.2
      74.0       3.3
      75.0       2.6
      76.0       4.8
      77.0      85.4
      78.0       9.8
      81.0       3.3
      82.0       4.1
      83.0       8.5
      84.0       8.5
      85.0      24.8
      86.0       8.5
      87.0       3.3
      88.0       1.4
      90.0       2.3
      91.0       9.8
      92.0       5.3
      93.0      12.6
      94.0       2.0
      95.0      10.4
      95.5       1.0
      96.0       1.4
      97.0       1.1
      98.0       9.9
      99.0      10.9
     100.0       2.1
     101.0       2.3
     103.0       9.1
     104.0      33.2
     105.0       8.6
     106.0       1.6
     108.0       2.7
     109.0      10.4
     110.0       1.7
     111.0      15.4
     112.0       2.5
     113.0       1.5
     117.0       7.1
     118.0       4.1
     119.0      14.9
     120.0      10.5
     121.0       1.1
     126.0       1.3
     127.0       5.6
     129.0       1.0
     130.0       3.8
     131.0       4.7
     132.0       2.9
     133.0       1.2
     134.0       1.7
     135.0     100.0
     136.0      39.0
     137.0       7.4
     138.0       1.8
     144.0       2.7
     145.0       2.2
     146.0       2.5
     147.0       1.5
     150.0       1.2
     151.0       2.7
     157.0       2.3
     158.0       2.1
     159.0       3.3
     160.0      11.5
     161.0       2.5
     162.0       2.2
     163.0       1.5
     172.0       4.5
     173.0       4.7
     174.0       1.2
     175.0       1.8
     176.0       1.5
     185.0       2.7
     186.0       5.8
     187.0       2.4
     188.0       1.8
     189.0      10.4
     190.0       1.7
     191.0       2.5
     192.0       5.8
     202.0       1.5
     203.0      15.7
     204.0      33.2
     205.0      21.6
     206.0       3.9
     207.0       1.2
     214.0       4.9
     215.0       1.1
     217.0      16.3
     218.0      59.5
     219.0       9.2
     220.0       4.1
     232.0       5.0
     235.0       2.9
     244.0       1.5
     245.0       5.7
     246.0      76.8
     247.0      12.0
     248.0       4.7
     262.0       1.5
     263.0       1.3
     264.0      75.4
     265.0      10.9
     266.0       4.8
     278.0       6.1
     279.0       1.1

KBr disc