2026-48-4

L-纈氨醇(2026-48-4)質(zhì)譜(MS)

產(chǎn)品名稱:L-纈氨醇

CAS:2026-48-4

分子式:C5H13NO

分子量: 103.16

InChI:InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1

InChIKey: NWYYWIJOWOLJNR-RXMQYKEDSA-N

Smiles:C(O)[C@@H](N)C(C)C

Mass

MS-NW-6785          
L-2-amino-3-methyl-1-butanol
C5H13NO             (Mass of molecular ion:    103)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.3
      17.0       2.1
      18.0       9.7
      27.0       6.5
      28.0      13.7
      29.0       6.8
      30.0      17.3
      31.0       3.4
      38.0       1.0
      39.0       7.1
      40.0       1.7
      41.0      11.8
      42.0      25.8
      43.0       8.4
      44.0       4.1
      53.0       2.1
      54.0       1.7
      55.0      40.6
      56.0      10.7
      57.0       8.8
      58.0       2.7
      59.0       1.4
      60.0      75.7
      61.0       2.3
      68.0       1.8
      70.0      10.8
      71.0       2.6
      72.0     100.0
      73.0       5.4
      74.0       1.0
      84.0       1.6
      86.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₃ N O	0.043 g : 0.5 ml CDCl₃
L-2-amino-3-methyl-1-butanol

    Assign.     Shift(ppm)

      A     *1      3.623
      B     *1      3.321
      C             2.571
      D             2.39
      E             1.59
      F     *2      0.928
      G     *2      0.923
     
     J(A,B)=10.6HZ, J(A,C)=4.0HZ, J(B,C)=8.3HZ, J(C,E)=6.2HZ,
     J(E,F)=J(E,G)=6.6HZ

     Hz     ppm     Int.

    333.63   3.726    111
    329.63   3.681    128
    323.06   3.608    227
    319.06   3.563    235
    305.63   3.413    220
    297.38   3.321    255
    295.06   3.295    103
    286.75   3.202    149
    239.38   2.673     83
    235.38   2.629     77
    233.19   2.604     90
    231.13   2.581     77
    229.19   2.560     85
    227.13   2.537     70
    224.94   2.512     83
    220.94   2.467     75
    214.00   2.390   1000
    153.94   1.719     32
    153.31   1.712     34
    146.56   1.637     61
    140.13   1.565     69
    133.38   1.490     64
    127.13   1.420     36
     86.06   0.961    845
     85.38   0.954    962
     79.50   0.888    660
     78.81   0.880    639

in CDCl3