2488-15-5

BOC-L-Methionine(2488-15-5) MS

Product NameBOC-L-Methionine

CAS 2488-15-5

Molecular FormulaC10H19NO4S

Molecular Weight249.33

InChIInChI=1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1

InChIKey IMUSLIHRIYOHEV-ZETCQYMHSA-N

SmilesC(O)(=O)[C@H](CCSC)NC(OC(C)(C)C)=O

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BOC-L-Methionine(2488-15-5) MS
Mass

MS-IW-6660          
N-tert-butoxycarbonyl-L-methionine
C10H19NO4S          (Mass of molecular ion:    249)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.3
      17.0       1.9
      18.0      10.6
      26.0       1.0
      27.0       7.5
      28.0      13.0
      29.0      13.1
      30.0       1.6
      31.0       8.9
      35.0       2.7
      39.0       9.9
      40.0       2.1
      41.0      46.0
      42.0       3.5
      43.0       4.4
      44.0      22.3
      45.0       5.6
      46.0       2.9
      47.0      10.3
      48.0       4.8
      49.0       2.7
      50.0       1.2
      51.0       1.1
      53.0       1.9
      54.0       4.6
      55.0      12.2
      56.0      33.5
      57.0      81.6
      58.0       4.1
      59.0      39.7
      60.0       1.9
      61.0      39.0
      62.0      20.6
      63.0       2.6
      73.0       2.3
      74.0      11.3
      75.0      87.7
      76.0       3.8
      77.0       4.3
      82.0       1.6
      83.0       8.3
      84.0       4.4
      85.0       2.0
      86.0       2.9
      87.0       4.4
      88.0       6.9
      96.0       1.4
      99.0       2.7
     100.0       8.4
     101.0      42.0
     102.0       7.4
     103.0       1.1
     104.0      12.8
     109.0       2.0
     114.0       8.7
     116.0      10.6
     117.0       1.5
     118.0       1.5
     119.0     100.0
     120.0       4.1
     127.0      12.0
     128.0       2.3
     129.0      20.7
     130.0       1.9
     131.0      19.2
     132.0      11.2
     133.0       2.1
     145.0       3.6
     146.0       4.5
     148.0       7.2
     149.0       3.7
     150.0       1.3
     157.0       3.0
     175.0      22.2
     176.0       7.3
     177.0       1.6
     193.0      78.5
     194.0       8.2
     195.0       4.5

400 MHz in CDCl3

BOC-L-Methionine(2488-15-5) MS

¹H NMR	399.65 MHz
C₁₀ H₁₉ N O₄ S	0.039 g : 0.5 ml CDCl₃
N-tert-butoxycarbonyl-L-methionine

    Assign.     Shift(ppm)

      A            10.0
      B             6.83
      C             5.24
      D             4.45
      E             4.33
      F             2.584
      G     *1      2.18
      J             2.114
      K     *1      2.00
      L             1.455

     Hz     ppm     Int.

   2097.63   5.249     21
   2089.54   5.229     21
   1040.34   2.604     63
   1032.87   2.585    121
   1025.70   2.567     73
    871.28   2.181     22
    869.45   2.176     21
    868.84   2.175     21
    867.77   2.172     22
    866.85   2.170     22
    865.94   2.167     22
    865.17   2.165     22
    856.02   2.142     21
    844.88   2.115    928
    803.22   2.010     26
    796.97   1.995     28
    796.36   1.993     28
    789.64   1.976     22
    581.82   1.456   1000

in CDCl3