19525-87-2

O-芐基-L-絲氨酸甲酯鹽酸鹽(19525-87-2)核磁圖(¹HNMR)

產(chǎn)品名稱:O-芐基-L-絲氨酸甲酯鹽酸鹽

CAS:19525-87-2

分子式:C11H16ClNO3

分子量: 245.7

InChI:InChI=1/C11H15NO3.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/s3

InChIKey: UDHSAWHYRXHQJP-MEQOOBBNNA-N

Smiles:C1(=CC=CC=C1)COC[C@H](N)C(=O)OC.Cl |&1:9,r|

Mass

MS-IW-5496          
o-benzyl-L-serine methyl ester hydrochloride
C11H15NO3 HCl       (Mass of molecular ion:    209)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.7
      28.0       3.4
      29.0       1.1
      30.0       1.4
      33.0       6.6
      35.0       1.3
      36.0      19.0
      38.0       6.3
      39.0       2.6
      41.0       2.0
      42.0       9.6
      43.0       5.0
      44.0       3.6
      51.0       2.7
      60.0       2.1
      63.0       1.6
      65.0       9.4
      71.0       1.0
      75.0       2.1
      77.0       4.3
      78.0       1.0
      79.0       6.0
      87.0       4.7
      88.0     100.0
      89.0       6.5
      90.0       2.3
      91.0      99.7
      92.0      10.9
     101.0       3.7
     102.0       1.0
     103.0      45.8
     104.0       2.5
     105.0       1.4
     107.0       5.0
     108.0       6.3
     118.0       1.1
     120.0      18.6
     121.0       1.9
     150.0      21.1
     151.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₅ N O₃	0.029 g : 0.5 ml CDCl₃
O-benzyl-L-serine methyl ester hydrochloride

    Assign.     Shift(ppm)

      A             8.84
      B             7.30
      C             7.26
      D     *1      4.683
      E     *1      4.488
      F             4.444
      G     *2      4.093
      J     *2      3.971
      K             3.720

     Hz     ppm     Int.

   3534.85   8.845    103
   2919.01   7.304    424
   2915.80   7.296    338
   2914.73   7.294    369
   2908.78   7.279     35
   2906.95   7.274     62
   2902.37   7.263     60
   2899.32   7.255     57
   2898.86   7.254     57
   2897.95   7.252     61
   2895.81   7.246     43
   2893.68   7.241     64
   1878.66   4.701    123
   1866.46   4.671    162
   1799.01   4.502    166
   1786.80   4.471    132
   1779.48   4.453     47
   1776.12   4.445     81
   1773.07   4.437     49
   1643.37   4.113     46
   1640.32   4.105     49
   1633.00   4.087     72
   1629.94   4.079     64
   1593.48   3.988     66
   1589.51   3.978     68
   1583.10   3.962     51
   1579.13   3.952     47
   1486.97   3.721   1000

in CDCl3