2279-16-5

氯乙酰-L-缬氨酸(2279-16-5)红外图谱(IR2)

产品名称:氯乙酰-L-缬氨酸

CAS:2279-16-5

分子式:C7H12ClNO3

分子量: 193.63

InChI:InChI=1S/C7H12ClNO3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1

InChIKey: LJRISAYPKJORFZ-LURJTMIESA-N

Smiles:C(O)(=O)[C@H](C(C)C)NC(CCl)=O

IR1

IR2

Raman

Mass

MS-NW-2146          
N-chloroacetyl-L-valine
C7H12ClNO3          (Mass of molecular ion:    193)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      14.0       1.2
      15.0       2.9
      18.0       4.0
      26.0       1.1
      27.0      14.7
      28.0      30.8
      29.0       9.2
      30.0       7.9
      31.0       1.7
      36.0       6.7
      38.0       2.2
      39.0      10.2
      40.0       1.7
      41.0      22.1
      42.0      20.5
      43.0      34.8
      44.0       2.2
      45.0       3.4
      46.0       2.5
      49.0      13.9
      51.0       4.6
      53.0       1.5
      54.0       2.5
      55.0      24.1
      56.0      13.1
      57.0      10.5
      58.0       1.5
      59.0       4.2
      68.0       1.0
      69.0       4.9
      70.0       7.7
      71.0       2.3
      72.0      73.0
      73.0       4.3
      74.0      34.9
      75.0       2.9
      76.0       1.3
      77.0      12.9
      78.0       1.1
      79.0       4.3
      82.0      14.5
      83.0       2.9
      84.0       1.3
      85.0       1.7
      87.0       3.3
      94.0      15.9
      96.0       5.4
      98.0      15.6
      99.0       2.3
     100.0       9.5
     101.0       1.5
     102.0       1.0
     105.0       8.1
     106.0       2.2
     107.0       2.7
     112.0       1.1
     113.0       2.6
     114.0       8.0
     115.0       9.3
     116.0       5.2
     132.0       1.9
     133.0      90.4
     134.0       5.4
     135.0      29.1
     136.0       1.5
     148.0     100.0
     149.0       8.0
     150.0      32.7
     151.0      19.5
     152.0       1.5
     153.0       6.0
     158.0       1.2
     160.0       1.5
     175.0       3.5
     177.0       1.2

KBr disc