10172-89-1

N-乙酰-D-苯丙氨酸(10172-89-1)質(zhì)譜(MS)

產(chǎn)品名稱:N-乙酰-D-苯丙氨酸

CAS:10172-89-1

分子式:C11H13NO3

分子量: 207.23

InChI:InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1

InChIKey: CBQJSKKFNMDLON-SNVBAGLBSA-N

Smiles:C(O)(=O)[C@@H](CC1=CC=CC=C1)NC(C)=O

Mass

MS-NW-2472          
N-acetyl-D-phenylalanine
C11H13NO3           (Mass of molecular ion:    207)

   Source Temperature: 220 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       2.1
      17.0       1.8
      18.0       9.5
      27.0       1.1
      28.0       1.9
      39.0       3.6
      41.0       1.1
      42.0       1.4
      43.0      24.9
      50.0       1.4
      51.0       3.6
      52.0       1.0
      63.0       2.1
      65.0       6.2
      74.0       4.6
      77.0       3.0
      78.0       1.8
      89.0       1.6
      90.0       1.1
      91.0     100.0
      92.0       8.8
     103.0       2.3
     104.0       2.6
     117.0       1.7
     118.0       2.2
     119.0       3.5
     120.0       2.8
     130.0       1.1
     147.0       3.3
     148.0       9.7
     149.0       1.0
     161.0       1.1
     189.0       9.7
     190.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₃ N O₃	0.040 g : 0.5 ml DMSO-d₆
N-acetyl-D-phenylalanine

    Assign.     Shift(ppm)

      A            12.7
      B             8.21
      C             7.28
      D             7.24
      E             7.21
      F             4.417
      G     *1      3.046
      J     *1      2.844
      K             1.786

     Hz     ppm     Int.

   3284.91   8.220     87
   3276.85   8.200     90
   2919.12   7.305     42
   2918.03   7.302     73
   2916.56   7.298     35
   2910.70   7.284    181
   2909.78   7.281    147
   2905.75   7.271     65
   2903.74   7.266    214
   2895.68   7.246    173
   2894.03   7.242    277
   2887.07   7.224    176
   2881.76   7.211     46
   2879.38   7.205    108
   2872.42   7.188     37
   1776.72   4.446     34
   1771.77   4.434     42
   1768.66   4.426     44
   1767.19   4.422     56
   1763.71   4.414     51
   1762.24   4.410     49
   1759.13   4.402     46
   1754.19   4.390     37
   1227.95   3.073     50
   1223.00   3.061     52
   1214.03   3.038     69
   1209.27   3.026     66
   1147.54   2.872     71
   1138.01   2.848     72
   1133.80   2.837     56
   1124.09   2.813     52
    713.98   1.787   1000

in DMSO-d6