101072-54-2

N-氯乙酰-DL-2-氨基正丁酸(101072-54-2)质谱(MS)

产品名称:N-氯乙酰-DL-2-氨基正丁酸

CAS:101072-54-2

分子式:C6H10ClNO3

分子量: 179.6

InChI:InChI=1S/C6H10ClNO3/c1-2-4(6(10)11)8-5(9)3-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11)

InChIKey: CLYGVTIFEIIGIX-UHFFFAOYSA-N

Smiles:C(O)(=O)C(NC(CCl)=O)CC

¹³CNMR

IR1

IR2

Mass

MS-NW-2275          
N-chloroacetyl-DL-alpha-aminobutyric acid
C6H10ClNO3          (Mass of molecular ion:    179)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.1
      15.0       2.1
      18.0       3.3
      26.0       1.6
      27.0       7.7
      28.0      19.6
      29.0       4.1
      30.0       4.5
      31.0       1.2
      36.0       3.6
      38.0       1.2
      39.0       3.2
      40.0       1.0
      41.0      13.1
      42.0       7.7
      43.0       6.5
      44.0       2.7
      45.0       5.0
      46.0       1.2
      49.0       9.7
      51.0       3.5
      54.0       1.2
      55.0       1.5
      56.0       8.5
      57.0       3.9
      58.0     100.0
      59.0       4.0
      68.0       1.4
      69.0       2.2
      70.0       1.5
      71.0       2.7
      74.0      25.4
      76.0       1.0
      77.0      10.4
      79.0       3.4
      82.0       1.0
      84.0       8.3
      86.0       1.6
      87.0       2.5
      94.0       5.7
      96.0       1.7
      98.0       1.4
      99.0       1.5
     100.0       4.8
     102.0       7.7
     133.0       3.5
     134.0      65.3
     135.0       5.5
     136.0      21.7
     137.0       1.4
     144.0       1.4
     150.0       1.8
     151.0       2.2
     179.0       4.0
     181.0       1.3

in DMSO-d6