1115-24-8

Chloroacetyl-DL-isoleucine(1115-24-8) IR1

Product NameChloroacetyl-DL-isoleucine

CAS 1115-24-8

Molecular FormulaC8H14ClNO3

Molecular Weight207.65

InChIInChI=1S/C8H14ClNO3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m0/s1

InChIKey HEZNGQNQHGVQLO-FSPLSTOPSA-N

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

Request For Quotation

¹³CNMR

IR1

IR2

Chloroacetyl-DL-isoleucine(1115-24-8) IR1
Mass

MS-NW-2279          
N-chloroacetyl-DL-isoleucine
C8H14ClNO3          (Mass of molecular ion:    207)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      14.0       2.1
      15.0       3.2
      17.0       2.4
      18.0      12.1
      26.0       2.3
      27.0      16.8
      28.0      29.9
      29.0      43.8
      30.0      19.9
      31.0       2.6
      35.0       1.8
      36.0      16.1
      38.0       5.7
      39.0      14.9
      40.0       3.7
      41.0      55.7
      42.0      20.0
      43.0      11.8
      44.0       6.9
      45.0       3.9
      46.0       2.3
      49.0      11.9
      50.0       1.3
      51.0       3.7
      52.0       1.7
      53.0       4.5
      54.0       5.3
      55.0      12.1
      56.0      14.8
      57.0      45.8
      58.0       5.3
      59.0       1.4
      60.0       1.3
      67.0       3.1
      68.0       4.0
      69.0      31.4
      70.0      12.6
      71.0       2.0
      73.0       1.5
      74.0      28.2
      75.0       5.9
      76.0       1.3
      77.0      11.5
      78.0       1.0
      79.0       3.6
      80.0       1.1
      81.0       1.1
      82.0       1.8
      83.0       2.0
      84.0       6.4
      85.0       1.8
      86.0      20.9
      87.0       5.5
      88.0       1.0
      94.0      16.2
      95.0       1.4
      96.0      14.3
      97.0       4.5
      98.0      11.7
      99.0       6.2
     105.0       6.3
     106.0      11.2
     107.0       2.5
     108.0       3.3
     112.0       1.3
     114.0      11.0
     115.0      21.4
     116.0       2.2
     117.0       1.3
     126.0       1.2
     127.0       2.1
     128.0       6.7
     130.0       2.1
     132.0       1.4
     133.0     100.0
     134.0       6.6
     135.0      32.2
     136.0       1.8
     151.0      32.5
     152.0       2.3
     153.0      11.1
     158.0       1.0
     160.0       1.4
     162.0      42.2
     163.0       3.9
     164.0      12.5
     165.0       1.2

in DMSO-d6