Methyl L-tyrosinate hydrochloride(3417-91-2) ¹³C NMR

Product NameMethyl L-tyrosinate hydrochloride

CAS 3417-91-2

Molecular FormulaC10H14ClNO3

Molecular Weight231.68

InChIInChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/s3

InChIKey VXYFARNRGZWHTJ-OVMXBOEKNA-N

SmilesC1(C=CC(O)=CC=1)C[C@H](N)C(=O)OC.Cl |&1:8,r|

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Mass

MS-NW-7008          
L-tyrosine methyl ester hydrochloride
C10H13NO3 HCl       (Mass of molecular ion:    195)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       2.8
      18.0       1.5
      27.0       1.9
      28.0       6.8
      29.0       1.6
      30.0       1.2
      33.0       8.4
      35.0       2.2
      36.0      12.6
      38.0       4.2
      39.0       3.8
      41.0       1.0
      42.0       2.0
      43.0       2.0
      50.0       1.1
      51.0       3.3
      52.0       1.9
      53.0       2.9
      55.0       1.4
      57.0       2.7
      60.0       2.3
      63.0       1.6
      65.0       2.7
      67.5       1.7
      68.0       4.3
      74.0       4.9
      77.0      10.1
      78.0       2.9
      79.0       2.9
      80.0       1.5
      81.0       1.0
      88.0      40.1
      89.0      10.2
      90.0       1.4
      91.0      11.4
      92.0       1.2
      94.0       1.2
     106.0       2.2
     107.0     100.0
     108.0      41.9
     109.0       3.9
     118.0       1.3
     119.0       3.4
     120.0       1.5
     134.0       1.9
     135.0       4.3
     136.0      28.2
     137.0       2.8
     195.0      12.2
     196.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₃ N O₃	0.038 g : 0.5 ml DMSO-d₆
L-tyrosine methyl ester hydrochloride

    Assign.     Shift(ppm)

      A             9.56
      B             8.74
      C             7.016
      D             6.751
      E             4.129
      F             3.660
      G     *1      3.104
      J     *1      3.016

     Hz     ppm     Int.

   3820.80   9.561     49
   3493.35   8.742    128
   2808.69   7.028    274
   2800.60   7.008    318
   2702.18   6.762    324
   2693.94   6.741    289
   1656.80   4.146     80
   1650.39   4.130    144
   1644.29   4.115     83
   1462.71   3.660   1000
   1252.44   3.134     52
   1246.95   3.121     55
   1238.25   3.099    105
   1232.91   3.085     96
   1213.99   3.038     98
   1206.82   3.020     98
   1199.95   3.003     57
   1192.78   2.985     50

in D2O

in DMSO-d6