CHLOROACETYL-L-LEUCINE(688-12-0) IR2

Product NameCHLOROACETYL-L-LEUCINE

CAS 688-12-0

Molecular FormulaC8H14ClNO3

Molecular Weight207.65

InChIInChI=1S/C8H14ClNO3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

InChIKey VDUNMYRYEYROFL-LURJTMIESA-N

SmilesC(O)(=O)[C@H](CC(C)C)NC(CCl)=O

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IR1

IR2

Mass

MS-NW-4956          
N-chloroacetyl-L-leucine
C8H14ClNO3          (Mass of molecular ion:    207)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      14.0       1.7
      15.0       5.6
      17.0       1.8
      18.0       8.9
      26.0       1.4
      27.0      17.6
      28.0      22.0
      29.0      15.2
      30.0      31.4
      31.0       1.5
      35.0       1.2
      36.0      12.6
      38.0       4.2
      39.0      11.6
      40.0       2.8
      41.0      35.8
      42.0      16.2
      43.0      49.1
      44.0      59.6
      45.0       2.9
      46.0       1.8
      49.0      11.7
      51.0       4.0
      53.0       2.8
      54.0       2.5
      55.0       7.8
      56.0       7.9
      57.0      12.7
      58.0       1.5
      59.0       3.5
      67.0       2.4
      68.0       4.0
      69.0      42.0
      70.0      18.9
      71.0       2.4
      72.0       1.9
      73.0       5.2
      74.0      24.1
      75.0       1.5
      76.0       1.2
      77.0      11.8
      79.0       3.9
      81.0       1.5
      82.0       1.4
      83.0       2.3
      84.0      10.6
      85.0       4.9
      86.0      50.1
      87.0       3.3
      88.0       3.5
      94.0      39.0
      95.0       1.8
      96.0      13.7
      97.0       4.5
      98.0       4.9
      99.0       4.2
     105.0       2.7
     106.0      24.8
     107.0       2.2
     108.0       8.1
     111.0       1.2
     112.0       3.6
     113.0       2.1
     114.0       8.6
     115.0       4.8
     116.0       1.4
     118.0       1.4
     119.0       5.6
     120.0      19.0
     121.0       2.9
     122.0       6.4
     126.0       2.3
     127.0       2.9
     128.0      22.4
     129.0       2.3
     130.0       4.1
     132.0       2.5
     133.0      33.9
     134.0       2.0
     135.0      11.2
     141.0       1.2
     146.0       9.1
     148.0       3.2
     150.0       1.8
     151.0      31.9
     152.0       2.3
     153.0      11.2
     154.0       1.1
     158.0       5.1
     161.0       1.2
     162.0     100.0
     163.0      18.4
     164.0      34.3
     165.0       6.4
     166.0       1.2
     172.0       2.2
     192.0       1.0
     207.0       1.0
     218.0       1.1
     246.0       1.8
     264.0       4.2
     266.0       1.4

KBr disc