53994-73-3

頭孢克洛(53994-73-3)紅外圖譜(IR2)

分子式:C15H14ClN3O4S

分子量: 367.81

InChI:InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1

InChIKey: QYIYFLOTGYLRGG-GPCCPHFNSA-N

Smiles:N12[C@@]([H])([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C1=O)SCC(Cl)=C2C(O)=O

IR1

IR2

Mass

MS-IW-3281          
Cefaclor
C15H14ClN3O4S       (Mass of molecular ion:    367)

   Source Temperature: 190 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      16.0       3.0
      17.0       2.5
      18.0       5.0
      27.0       1.1
      28.0      13.3
      29.0       1.6
      30.0      11.8
      32.0       5.2
      33.0       4.8
      34.0      12.7
      35.0      10.2
      36.0      73.4
      37.0       3.5
      38.0      24.9
      39.0       2.9
      41.0       1.2
      42.0       1.2
      43.0       1.8
      44.0     100.0
      45.0       4.6
      46.0       1.1
      50.0       2.0
      51.0       5.2
      52.0       2.6
      53.0       1.6
      54.0       1.1
      56.0       1.7
      57.0       1.4
      58.0       1.2
      59.0       1.0
      60.0       2.6
      63.0       1.6
      71.0       2.7
      72.0       1.6
      76.0       1.5
      77.0       9.6
      78.0       4.3
      79.0       6.0
      80.0       1.5
      85.0       1.2
      89.0       2.9
      90.0       4.2
      91.0       6.9
      92.0       1.2
      98.0       4.0
      99.0      11.5
     100.0       1.6
     103.0       1.9
     104.0      17.5
     105.0       6.1
     106.0      29.0
     107.0       3.0
     112.0       1.0
     117.0       1.2
     118.0      12.7
     119.0       5.8
     125.0       1.1
     126.0       1.6
     127.0       1.8
     128.0       1.1
     132.0       3.0
     133.0       1.2
     134.0       2.3
     139.0       2.2
     140.0       1.0
     146.0       1.0
     147.0      21.9
     148.0       2.7
     161.0       2.2
     162.0       2.0
     173.0       1.8
     188.0       1.2
     189.0       1.1
     190.0       8.7
     191.0       1.2
     217.0       1.4
     285.0       1.2
     286.0       1.9
     287.0       7.3
     288.0       1.4

KBr disc