840-97-1

N-乙酰-L-酪氨酸乙酯(840-97-1)紅外圖譜(IR2)

產(chǎn)品名稱:N-乙酰-L-酪氨酸乙酯

CAS:840-97-1

分子式:C13H17NO4

分子量: 251.28

InChI:InChI=1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1

InChIKey: SKAWDTAMLOJQNK-LBPRGKRZSA-N

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

Mass

MS-NW-2342          
N-acetyl-L-tyrosine ethyl ester
C13H17NO4 H2O       (Mass of molecular ion:    251)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       3.2
      18.0       1.1
      27.0       3.5
      28.0       5.2
      29.0       4.4
      31.0       1.2
      39.0       2.8
      42.0       1.1
      43.0      29.4
      46.0       1.3
      51.0       2.5
      52.0       1.4
      53.0       2.0
      55.0       1.2
      57.0       1.5
      60.0       6.4
      63.0       1.0
      65.0       2.1
      74.0       7.6
      77.0       9.0
      78.0       2.4
      79.0       2.0
      88.0       1.7
      91.0       7.0
      94.0       1.0
      99.0       6.5
     102.0      14.2
     103.0       2.5
     106.0       1.1
     107.0     100.0
     108.0      10.1
     118.0       2.2
     119.0       3.2
     120.0      14.7
     121.0       1.6
     133.0       1.4
     134.0       2.0
     135.0       5.0
     136.0      20.5
     137.0       2.0
     145.0       1.0
     147.0      20.6
     148.0       3.1
     164.0       5.8
     177.0       2.3
     178.0      14.9
     179.0       1.7
     192.0      68.3
     193.0       8.4
     251.0       1.1

90 MHz at 50C

¹H NMR	89.56 MHz
C₁₃ H₁₇ N O₄	saturated in CDCl₃ at 50C
N-acetyl-L-tyrosine ethyl ester

    Assign.     Shift(ppm)

      A             6.93
      B             6.74
      C             6.13
      D             4.81
      E             4.164
      F             3.00
      G             1.959
      J             1.243
     
     J(C,D)=8.0HZ

     Hz     ppm     Int.

    627.06   7.002    111
    625.00   6.979     61
    620.63   6.930     83
    618.31   6.904    258
    608.75   6.798     74
    606.38   6.771    321
    604.00   6.745     89
    600.00   6.700     66
    597.69   6.674    135
    434.31   4.850     68
    428.25   4.782     46
    426.25   4.760     58
    384.00   4.288     66
    376.88   4.209    215
    369.69   4.128    229
    362.56   4.049     78
    273.13   3.050    127
    272.44   3.042    124
    269.75   3.012     41
    267.44   2.987    116
    265.94   2.970    107
    175.50   1.960   1000
    118.25   1.321    262
    111.19   1.242    558
    104.00   1.162    231

in CDCl3