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Back ChemicalBook Home>CAS DataBase List>3417-91-2More Spectrum> Methyl L-tyrosinate hydrochloride(3417-91-2) IR1

3417-91-2

Methyl L-tyrosinate hydrochloride(3417-91-2) IR1

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|

  • Methyl L-tyrosinate hydrochloride(3417-91-2) IR1
    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

  • Methyl L-tyrosinate hydrochloride(3417-91-2) IR1

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

  • Methyl L-tyrosinate hydrochloride(3417-91-2) IR1

  • Methyl L-tyrosinate hydrochloride(3417-91-2) IR1

KBr disc

  • Methyl L-tyrosinate hydrochloride(3417-91-2) IR1

nujol mull

  • Methyl L-tyrosinate hydrochloride(3417-91-2) IR1

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