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返回ChemicalBook首页>CAS数据库列表>5068-28-0更多图谱> Boc-S-苄基-L-半光氨酸(5068-28-0)红外图谱(IR1)

5068-28-0

Boc-S-苄基-L-半光氨酸(5068-28-0)红外图谱(IR1)

分子式:C15H21NO4S

分子量: 311.4

InChI:InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

InChIKey: IFVORPLRHYROAA-LBPRGKRZSA-N

Smiles:C(O)(=O)[C@H](CSCC1=CC=CC=C1)NC(OC(C)(C)C)=O

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    Mass

    MS-IW-6986          
    S-benzyl-N-(tert-butoxycarbonyl)-L-cysteine
    C15H21NO4S          (Mass of molecular ion:    311)
    

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

          17.0       1.6
          18.0       8.6
          27.0       2.9
          28.0       5.2
          29.0       2.9
          30.0       1.1
          31.0       3.8
          38.0       1.0
          39.0       8.4
          40.0       2.3
          41.0      22.3
          42.0       3.1
          43.0       4.4
          44.0      20.5
          45.0       4.4
          50.0       1.5
          51.0       2.6
          53.0       1.3
          55.0       4.9
          56.0      11.3
          57.0       5.1
          59.0      12.7
          63.0       1.6
          65.0       8.8
          74.0       3.6
          77.0       2.1
          89.0       3.3
          90.0       1.0
          91.0     100.0
          92.0       9.3
         121.0       2.5
         122.0       3.5
         123.0       4.0
         124.0       7.8
         137.0      21.6
         138.0       6.4
         139.0       1.5
         161.0       1.0
         165.0       2.0
         166.0       1.0
         176.0       1.0
         194.0       2.8
         211.0       1.4
         237.0      10.1
         238.0       1.7
         255.0       5.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C15 H21 N O4 S 0.041 g : 0.5 ml CDCl3
    S-benzyl-N-(tert-butoxycarbonyl)-L-cysteine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.5 B 7.30 C 7.24 D 5.326 E 4.54 F 3.734 G 2.90 J 1.453

         Hz     ppm     Int.
    

       2920.07   7.307    524
       2915.50   7.296    841
       2911.53   7.286     46
       2908.33   7.278     20
       2906.80   7.274     22
       2904.36   7.268     27
       2896.27   7.248     71
       2891.69   7.236     78
       2886.96   7.224     40
       2131.65   5.334     29
       2131.35   5.334     29
       2123.87   5.315     30
       1820.22   4.555     26
       1817.78   4.549     24
       1814.27   4.540     26
       1813.81   4.539     26
       1492.31   3.735    215
       1157.38   2.896     33
       1149.90   2.878     31
        580.75   1.454   1000
    

in CDCl3

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KBr disc

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nujol mull

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