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Back ChemicalBook Home>CAS DataBase List>19525-87-2More Spectrum> O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE(19525-87-2) IR2

O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE(19525-87-2) IR2

Molecular FormulaC11H16ClNO3

Molecular Weight245.7

InChIInChI=1/C11H15NO3.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/s3

InChIKey UDHSAWHYRXHQJP-MEQOOBBNNA-N

SmilesC1(=CC=CC=C1)COC[C@H](N)C(=O)OC.Cl |&1:9,r|


  • Mass

    MS-IW-5496          
    o-benzyl-L-serine methyl ester hydrochloride
    C11H15NO3 HCl       (Mass of molecular ion:    209)
    

       Source Temperature: 160 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       1.7
          28.0       3.4
          29.0       1.1
          30.0       1.4
          33.0       6.6
          35.0       1.3
          36.0      19.0
          38.0       6.3
          39.0       2.6
          41.0       2.0
          42.0       9.6
          43.0       5.0
          44.0       3.6
          51.0       2.7
          60.0       2.1
          63.0       1.6
          65.0       9.4
          71.0       1.0
          75.0       2.1
          77.0       4.3
          78.0       1.0
          79.0       6.0
          87.0       4.7
          88.0     100.0
          89.0       6.5
          90.0       2.3
          91.0      99.7
          92.0      10.9
         101.0       3.7
         102.0       1.0
         103.0      45.8
         104.0       2.5
         105.0       1.4
         107.0       5.0
         108.0       6.3
         118.0       1.1
         120.0      18.6
         121.0       1.9
         150.0      21.1
         151.0       2.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C11 H15 N O3 0.029 g : 0.5 ml CDCl3
    O-benzyl-L-serine methyl ester hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.84 B 7.30 C 7.26 D *1 4.683 E *1 4.488 F 4.444 G *2 4.093 J *2 3.971 K 3.720

         Hz     ppm     Int.
    

       3534.85   8.845    103
       2919.01   7.304    424
       2915.80   7.296    338
       2914.73   7.294    369
       2908.78   7.279     35
       2906.95   7.274     62
       2902.37   7.263     60
       2899.32   7.255     57
       2898.86   7.254     57
       2897.95   7.252     61
       2895.81   7.246     43
       2893.68   7.241     64
       1878.66   4.701    123
       1866.46   4.671    162
       1799.01   4.502    166
       1786.80   4.471    132
       1779.48   4.453     47
       1776.12   4.445     81
       1773.07   4.437     49
       1643.37   4.113     46
       1640.32   4.105     49
       1633.00   4.087     72
       1629.94   4.079     64
       1593.48   3.988     66
       1589.51   3.978     68
       1583.10   3.962     51
       1579.13   3.952     47
       1486.97   3.721   1000
    

in CDCl3



KBr disc



nujol mull



O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE(19525-87-2) IR2 Atlas of Related Products

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