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13734-34-4

BOC-L-苯丙氨酸(13734-34-4)核磁图(13CNMR)

产品名称:BOC-L-苯丙氨酸

CAS:13734-34-4

分子式:C14H19NO4

分子量: 265.3

InChI:InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1

InChIKey: ZYJPUMXJBDHSIF-NSHDSACASA-N

Smiles:C(O)(=O)[C@H](CC1=CC=CC=C1)NC(OC(C)(C)C)=O

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    Mass

    MS-NW-6315          
    N-tert-butoxycarbonyl-L-phenylalanine
    C14H19NO4           (Mass of molecular ion:    265)
    

       Source Temperature: 180 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          27.0       2.7
          28.0       4.2
          29.0       9.4
          31.0       3.0
          39.0       5.7
          41.0      16.4
          42.0       1.1
          43.0       2.2
          44.0       1.3
          51.0       2.6
          55.0       1.7
          56.0       2.2
          57.0     100.0
          58.0       4.7
          59.0      19.8
          63.0       1.5
          65.0       6.2
          74.0       8.5
          77.0       3.2
          79.0       1.2
          87.0       1.9
          89.0       1.3
          91.0      46.7
          92.0      12.5
          93.0       1.1
         103.0       2.3
         104.0       2.4
         118.0       1.9
         119.0       1.3
         120.0      10.8
         121.0       1.0
         146.0       1.7
         147.0       3.8
         148.0      50.1
         149.0       5.3
         163.0       1.3
         164.0       8.3
         165.0       1.8
         192.0       1.8
         209.0       9.8
         210.0       1.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C14 H19 N O4 0.039 g : 0.5 ml CDCl3
    N-tert-butoxycarbonyl-L-phenylalanine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.2 B 7.29 to 7.19 C 6.59 D 4.99 E 4.622 F 4.398 G *1 3.19 J *1 3.083 K *1 2.908 L 1.417 M 1.281 MIXTURE OF ISOMERS DUE TO C-N HINDERED ROTATION

         Hz     ppm     Int.
    

       4477.69  11.205     26
       2924.25   7.318     84
       2917.48   7.301    246
       2910.15   7.282    263
       2903.74   7.266    178
       2902.46   7.263    140
       2896.96   7.249    187
       2893.48   7.241     47
       2889.45   7.230     65
       2888.54   7.228     60
       2888.17   7.227     60
       2882.67   7.213     89
       2882.31   7.213     89
       2874.80   7.194    186
       2867.47   7.175    113
       1759.86   4.404     24
       1756.02   4.394     24
       1164.57   2.914     22
        566.35   1.418   1000
        512.13   1.282    469
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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