5338-45-4

N-FORMYL-DL-LEUCINE(5338-45-4) IR1

Product NameN-FORMYL-DL-LEUCINE

CAS 5338-45-4

Molecular FormulaC7H13NO3

Molecular Weight159.18

InChIInChI=1S/C7H13NO3/c1-5(2)3-6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

InChIKey HFBHOAHFRNLZGN-LURJTMIESA-N

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

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N-FORMYL-DL-LEUCINE(5338-45-4) IR1
Mass

MS-NW-2489          
N-formyl-DL-leucine
C7H13NO3            (Mass of molecular ion:    159)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       3.7
      17.0       2.1
      18.0      10.5
      19.0       1.2
      26.0       1.3
      27.0      18.6
      28.0      36.0
      29.0      18.9
      30.0      25.1
      38.0       1.1
      39.0      12.1
      40.0       2.1
      41.0      37.7
      42.0      14.2
      43.0      39.6
      44.0      56.4
      45.0       3.5
      46.0      57.4
      47.0       1.1
      53.0       2.8
      54.0       2.0
      55.0       4.2
      56.0       3.4
      57.0      13.7
      58.0      20.7
      59.0       4.5
      67.0       1.9
      68.0       2.7
      69.0      53.0
      70.0      11.7
      71.0       9.5
      72.0      52.6
      73.0       5.1
      74.0      12.9
      75.0       2.3
      81.0       2.0
      84.0       1.6
      85.0      60.1
      86.0      18.1
      87.0       1.4
      88.0       1.7
      95.0       1.0
      96.0       2.6
      98.0      10.9
      99.0       4.9
     102.0       4.6
     103.0      47.0
     104.0       1.9
     113.0       2.4
     114.0     100.0
     115.0      10.1
     116.0       4.6

400 MHz in DMSO-d6

N-FORMYL-DL-LEUCINE(5338-45-4) IR1

¹H NMR	399.65 MHz
C₇ H₁₃ N O₃	0.038 g : 0.5 ml DMSO-d₆
N-formyl-DL-leucine

    Assign.     Shift(ppm)

      A            13.
      B             8.36
      C             8.041
      D             4.295
      E             1.623
      F             1.517
      G     *1      0.895
      J     *1      0.854
     
     J(B,D)=7.9HZ

     Hz     ppm     Int.

   3343.73   8.367    132
   3335.82   8.347    133
   3213.81   8.042    413
   1728.28   4.325     69
   1720.58   4.306    174
   1712.89   4.286    174
   1705.20   4.267     69
    662.63   1.659     47
    655.80   1.641     90
    648.96   1.624    122
    642.12   1.607    116
    635.71   1.591     76
    629.09   1.575     36
    619.04   1.549     54
    613.06   1.534    350
    605.58   1.516    452
    598.53   1.498    228
    361.13   0.904   1000
    354.50   0.888    965
    344.67   0.863    951
    338.05   0.846    905

in DMSO-d6

KBr disc

4880 A,200 M,powder

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