17114-97-5

O-叔丁基-L-丝氨酸甲酯盐酸盐(17114-97-5)质谱(MS)

产品名称:O-叔丁基-L-丝氨酸甲酯盐酸盐

CAS:17114-97-5

分子式:C8H18ClNO3

分子量: 211.69

InChI:InChI=1/C8H17NO3.ClH/c1-8(2,3)12-5-6(9)7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/s3

InChIKey: PCIABNBULSRKSU-UZHXKHNSNA-N

Smiles:C(C)(C)(C)OC[C@H](N)C(=O)OC.Cl |&1:6,r|

Mass

MS-KW-0542          
O-tert-butyl-L-serine methyl ester hydrochloride
C8H17NO3 HCl        (Mass of molecular ion:    175)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       4.6
      18.0       2.7
      27.0       1.9
      28.0       4.8
      29.0      10.3
      30.0       2.5
      31.0       1.3
      33.0       2.8
      35.0       1.8
      36.0      15.8
      38.0       5.3
      39.0       2.4
      41.0      15.3
      42.0      12.0
      43.0       8.3
      50.5       1.9
      55.0       1.3
      56.0       1.9
      57.0      56.7
      58.0       3.4
      59.0       4.2
      60.0      39.1
      61.0       1.1
      70.0       7.1
      74.0      21.7
      88.0      11.2
      89.0     100.0
      90.0       3.8
     102.0      21.4
     103.0       1.2
     116.0       8.9
     119.0       2.2
     145.0       1.6
     160.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈H₁₈ClNO₃	0.037 g : 0.5 ml CDCl₃
O-tert-butyl-L-serine methyl ester hydrochloride

    Assign.     Shift(ppm)

     A           8.74
     B           4.374
     C *1        4.002
     D *1        3.885
     E           3.822
     F           1.206

     Hz     ppm     Int.

   3495.24   8.743     27
   1751.84   4.382     28
   1748.42   4.374     51
   1745.12   4.366     28
   1606.94   4.020     25
   1603.89   4.012     26
   1597.05   3.995     36
   1594.12   3.988     32
   1558.96   3.900     35
   1555.18   3.891     36
   1549.20   3.876     28
   1545.42   3.866     26
   1536.50   3.844     11
   1527.96   3.822    426
    482.06   1.206   1000

in CDCl3