19728-63-3

N-苄氧羰基-L-苏氨酸(19728-63-3)质谱(MS)

CAS:19728-63-3

分子式:C12H15NO5

分子量: 253.25

InChI:InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1

InChIKey: IPJUIRDNBFZGQN-SCZZXKLOSA-N

Smiles:C(O)(=O)[C@H]([C@H](O)C)NC(OCC1=CC=CC=C1)=O

Mass

MS-IW-5814          
N-benzyloxycarbonyl-L-threonine
C12H15NO5           (Mass of molecular ion:    253)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.3
      27.0       3.0
      28.0      14.3
      29.0       4.3
      30.0       1.1
      39.0       3.8
      41.0       1.3
      43.0       3.4
      44.0       7.1
      45.0       7.2
      50.0       2.3
      51.0       5.7
      52.0       1.9
      53.0       2.2
      54.0       1.7
      55.0       1.2
      56.0      14.8
      57.0       2.3
      63.0       2.0
      65.0       7.0
      73.0       1.9
      74.0       4.8
      75.0       1.2
      77.0      15.0
      78.0       3.7
      79.0      32.2
      80.0       3.1
      83.0       2.7
      84.0       1.2
      89.0       3.8
      90.0       4.8
      91.0     100.0
      92.0      12.6
     100.0      31.5
     101.0       6.7
     105.0       2.3
     106.0       1.0
     107.0      30.6
     108.0      44.4
     109.0       3.5
     118.0       1.1
     148.0      18.4
     149.0       1.9
     164.0       1.1
     191.0       1.5
     209.0       9.7
     210.0       1.2
     253.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₅ N O₅	0.041 g : 0.5 ml DMSO-d₆
N-benzyloxycarbonyl-L-threonine

    Assign.     Shift(ppm)

      A             7.38
      B             7.33
      C             6.98
      D             5.064
      E             4.099
      F             3.980
      G             1.106

     Hz     ppm     Int.

   2950.20   7.382    761
   2945.80   7.371    892
   2940.31   7.358     91
   2937.01   7.349    122
   2933.11   7.340    136
   2928.96   7.329    169
   2927.12   7.325    121
   2924.68   7.319    150
   2922.36   7.313     78
   2920.41   7.308     82
   2916.87   7.299     32
   2915.89   7.297     35
   2795.41   6.995    158
   2786.50   6.973    163
   2024.05   5.065   1000
   1643.19   4.112     82
   1639.77   4.104     93
   1636.84   4.096     88
   1633.30   4.087     95
   1627.08   4.072     36
   1596.92   3.996    139
   1593.51   3.988    131
   1590.58   3.980     41
   1588.01   3.974    146
   1584.47   3.965    130
    445.19   1.114    628
    438.84   1.099    584

in DMSO-d6