L-6-羥基正亮氨酸(6033-32-5)紅外圖譜(IR1)

產(chǎn)品名稱:L-6-羥基正亮氨酸

CAS:6033-32-5

分子式:C6H13NO3

分子量: 147.17

InChI:InChI=1/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/s3

InChIKey: OLUWXTFAPJJWPL-GQMHJJTINA-N

Smiles:[C@@H](N)(C(=O)O)CCCCO |&1:0,r|

Mass

MS-IW-9682          
6-hydroxy-L-norleucine
C6H13NO3            (Mass of molecular ion:    147)

   Source Temperature: 190 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       3.8
      16.0       1.3
      17.0      11.0
      18.0      53.1
      19.0       1.0
      25.0       1.4
      26.0      11.4
      27.0      27.7
      28.0      87.3
      29.0      21.5
      30.0      26.9
      31.0      10.0
      37.0       1.7
      38.0       3.5
      39.0      18.6
      40.0       6.4
      41.0      37.1
      42.0      24.2
      43.0      68.5
      44.0      11.2
      45.0       2.4
      46.0       6.7
      50.0       3.6
      51.0       5.4
      52.0       8.5
      53.0       8.0
      54.0      15.4
      55.0      29.8
      56.0     100.0
      57.0      24.6
      58.0       1.5
      63.0       1.1
      64.0       1.3
      65.0       3.7
      66.0       6.7
      67.0      16.9
      68.0       4.6
      69.0       3.8
      70.0       2.9
      71.0       4.3
      72.0       2.9
      73.0       1.7
      74.0      21.7
      75.0       3.9
      78.0       2.3
      79.0       5.3
      80.0       3.8
      81.0       2.9
      82.0      11.1
      83.0      10.8
      84.0      30.0
      85.0      39.1
      86.0       2.6
      87.0       1.5
      91.0       1.5
      92.0       1.6
      93.0       7.4
      94.0       1.9
     100.0       1.5
     101.0       1.8
     102.0      27.8
     103.0       1.8
     111.0       1.6
     129.0       1.4

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₃ N O₃	0.035 g : 0.5 ml D₂O
6-hydroxy-L-norleucine

    Assign.     Shift(ppm)

      A             3.746
      B             3.624
      C             1.89
      D             1.603
      E             1.45
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1503.30   3.762    194
   1497.07   3.746    313
   1490.97   3.731    188
   1454.83   3.641    504
   1448.49   3.625   1000
   1441.89   3.608    491
    764.04   1.912    168
    762.57   1.909    172
    762.33   1.908    172
    758.79   1.899    175
    755.00   1.890    219
    753.66   1.886    222
    748.05   1.872    195
    746.70   1.869    176
    746.22   1.868    177
    648.32   1.623    288
    641.36   1.605    482
    634.40   1.588    404
    627.69   1.571    152
    586.67   1.468    151
    584.23   1.462    143
    577.51   1.446    220
    573.12   1.435    138
    570.19   1.427    191

in D2O