Ethyl L-tyrosinate(949-67-7) ¹H NMR

Product NameEthyl L-tyrosinate

CAS 949-67-7

Molecular FormulaC11H15NO3

Molecular Weight209.24

InChIInChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1

InChIKey SBBWEQLNKVHYCX-JTQLQIEISA-N

SmilesC(OCC)(=O)[C@H](CC1=CC=C(O)C=C1)N

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Ethyl L-tyrosinate(949-67-7) <sup>1</sup>H NMR
Mass

MS-NW-2482          
L-tyrosine ethyl ester
C11H15NO3           (Mass of molecular ion:    209)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.0
      17.0       2.5
      18.0      12.3
      27.0       4.8
      28.0      11.8
      29.0       7.0
      30.0       2.5
      39.0       4.1
      41.0       1.1
      42.0       2.5
      43.0       3.7
      46.0       5.5
      47.0       1.2
      50.0       1.0
      51.0       3.1
      52.0       1.7
      53.0       2.8
      55.0       1.4
      57.0       3.1
      58.0       1.1
      63.0       1.5
      65.0       3.3
      67.0       1.7
      68.0       4.6
      74.0      50.2
      75.0       3.1
      77.0       9.6
      78.0       2.6
      79.0       2.6
      80.0       1.7
      81.0       1.1
      89.0       1.0
      91.0      16.6
      92.0       1.6
      94.0       1.4
     102.0      71.2
     103.0      21.3
     104.0       1.6
     106.0       2.7
     107.0     100.0
     108.0      54.9
     109.0       4.9
     118.0       2.1
     119.0       4.8
     120.0       2.1
     134.0       2.4
     135.0       7.3
     136.0      70.8
     137.0       6.6
     192.0       1.7
     209.0      10.5
     210.0       1.4

400 MHz in D2O

Ethyl L-tyrosinate(949-67-7) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₁₁ H₁₅ N O₃	saturated in D₂O
L-tyrosine ethyl ester

    Assign.     Shift(ppm)

      A             7.117
      B             6.87
      C             4.158
      D             3.792
      E             2.956
      F             1.208

     Hz     ppm     Int.

   2848.88   7.129    316
   2846.80   7.124    104
   2842.41   7.113    120
   2840.33   7.108    370
   2747.68   6.876    446
   2745.48   6.870    130
   2741.09   6.859    127
   2739.01   6.854    370
   1672.49   4.185    146
   1665.41   4.168    453
   1658.20   4.150    460
   1651.00   4.132    149
   1522.09   3.809     92
   1515.63   3.793    215
   1509.16   3.777    104
   1184.69   2.965    300
   1178.10   2.948    288
    490.23   1.227    472
    483.03   1.209   1000
    475.95   1.191    483

in D2O