5856-63-3

(R)-(-)-2-氨基-1-丁醇(5856-63-3)質(zhì)譜(MS)

產(chǎn)品名稱:(R)-(-)-2-氨基-1-丁醇

CAS:5856-63-3

分子式:C4H11NO

分子量: 89.14

InChI:InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1

InChIKey: JCBPETKZIGVZRE-SCSAIBSYSA-N

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

Mass

MS-NW-6447          
(-)-2-amino-1-butanol
C4H11NO             (Mass of molecular ion:     89)

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

      15.0       3.0
      18.0       4.9
      27.0       3.9
      28.0       7.9
      29.0       2.7
      30.0      14.8
      31.0       3.2
      39.0       2.8
      41.0      24.4
      42.0      14.7
      43.0       7.7
      44.0       2.0
      54.0       1.1
      56.0       4.4
      57.0       1.8
      58.0     100.0
      59.0       4.4
      60.0      18.9
      70.0       1.2
      72.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₁₁ N O	0.05 ml : 0.5 ml CDCl₃
(-)-2-amino-1-butanol

    Assign.     Shift(ppm)

      A     *1      3.560
      B     *1      3.270
      C             2.93
      D             2.729
      E     *2      1.447
      F     *2      1.288
      G             0.941
     
     J(A,B)=-10.8HZ
     J(A,D)=3.6HZ
     J(B,D)=7.6HZ
     J(E,F)=-15.0HZ
     J(E,D)=6.0HZ
     J(F,D)=7.6HZ

     Hz     ppm     Int.

   1430.05   3.579     99
   1426.39   3.570    101
   1419.43   3.552    116
   1415.65   3.543    113
   1315.67   3.293    209
   1307.98   3.273    230
   1305.05   3.266    186
   1297.24   3.246    193
   1172.73   2.935     83
   1172.36   2.934     83
   1172.00   2.933     83
   1103.15   2.761     52
   1099.24   2.751     60
   1097.41   2.746     70
   1095.46   2.742    100
   1093.63   2.737     79
   1091.80   2.732    102
   1089.84   2.727    104
   1087.89   2.723     78
   1086.06   2.718     97
   1084.23   2.713     66
   1082.28   2.709     57
   1078.49   2.699     45
    594.12   1.487     31
    592.29   1.483     68
    586.55   1.468     94
    584.72   1.464     81
    580.44   1.453     54
    578.86   1.449    145
    572.88   1.434    101
    571.17   1.430    119
    565.43   1.415     96
    563.72   1.411     48
    557.98   1.397     37
    535.64   1.341     33
    528.20   1.322    116
    520.63   1.303    179
    514.40   1.288    105
    513.31   1.285    140
    506.96   1.269    125
    499.63   1.251     86
    383.67   0.961    583
    376.10   0.942   1000
    368.65   0.923    516

in CDCl3