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网站主页CAS数据库列表 14173-40-1更多图谱4-氯-DL-苯丙氨酸甲酯盐酸盐(14173-40-1)核磁图(13CNMR)

4-氯-DL-苯丙氨酸甲酯盐酸盐

产品名称 4-氯-DL-苯丙氨酸甲酯盐酸盐

CAS号14173-40-1

分子式C10H13Cl2NO2

分子量250.12

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  • Mass

    MS-IW-0008          
    4-chloro-DL-phenylalanine methyl ester hydrochloride
    C10H12ClNO2 HCl     (Mass of molecular ion:    213)
    

       Source Temperature: 170 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       1.4
          18.0       3.0
          28.0       5.0
          33.0       8.8
          36.0      11.5
          38.0       3.8
          39.0       1.0
          42.0       1.5
          58.5       2.9
          59.0       1.4
          59.5       3.2
          60.0       2.2
          63.0       1.4
          65.0       1.1
          77.0       2.0
          88.0     100.0
          89.0       6.6
          90.0       1.6
          91.0       4.8
         101.0       1.0
         117.0       1.3
         118.0       4.5
         119.0       7.0
         125.0       4.8
         126.0       1.4
         127.0       1.7
         154.0      22.0
         155.0       2.3
         156.0       7.2
         213.0       3.2
         215.0       1.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10 H12 Cl N O2 0.039 g : 0.5 ml DMSO-d6
    4-chloro-DL-phenylalanine methyl ester hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.92 B 7.394 C 7.317 D 4.247 E 3.674 F *1 3.255 G *1 3.167 J(F,D)=5.5HZ J(F,G)=-14.0HZ J(G,D)=7.5HZ

         Hz     ppm     Int.
    

       3564.61   8.920    119
       2960.51   7.408    205
       2958.53   7.403     73
       2953.95   7.392     95
       2951.97   7.387    347
       2949.52   7.381     52
       2929.99   7.332     49
       2927.55   7.326    288
       2925.57   7.321     86
       2920.99   7.309     69
       2919.01   7.304    174
       1704.25   4.265     52
       1698.61   4.251     69
       1696.93   4.247     78
       1691.28   4.232     56
       1468.81   3.676   1000
       1312.71   3.285     32
       1307.22   3.271     33
       1298.68   3.250     63
       1293.18   3.236     59
       1274.41   3.189     64
       1266.94   3.171     63
       1260.38   3.154     36
       1253.05   3.136     33
    

in DMSO-d6



KBr disc



nujol mull