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网站主页CAS数据库列表 3821-81-6更多图谱A-氟-B-丙胺酸(3821-81-6)核磁图(13CNMR)

A-氟-B-丙胺酸

产品名称 A-氟-B-丙胺酸

CAS号3821-81-6

分子式C3H6FNO2

分子量107.08

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  • Mass

    MS-NW-2996          
    alpha-fluoro-beta-alanine
    C3H6FNO2            (Mass of molecular ion:    107)
    

       Source Temperature: 230 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          14.0       2.2
          15.0       7.6
          17.0       1.9
          18.0       7.3
          20.0       3.7
          26.0       2.1
          27.0       4.7
          28.0      14.2
          29.0       1.9
          30.0     100.0
          31.0       1.7
          33.0       1.6
          36.0       1.1
          39.0       1.4
          40.0       4.1
          41.0      13.3
          42.0      14.3
          43.0       2.6
          44.0       5.8
          45.0       3.7
          46.0       1.9
          60.0       3.1
          61.0       1.9
          62.0       2.6
          69.0       5.1
          70.0       1.2
          87.0       3.5
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C3 H6 F N O2 0.043 g : 0.5 ml D2O
    alpha-fluoro-beta-alanine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.100 B *1 3.542 C *1 3.396 H2O SIGNAL REMOVED

         Hz     ppm     Int.
    

       2070.56   5.181    885
       2067.38   5.173    897
       2061.89   5.160    941
       2058.72   5.152    890
       2020.02   5.055    926
       2016.85   5.047    951
       2011.35   5.033   1000
       2008.18   5.025    963
       1440.06   3.604    597
       1437.01   3.596    601
       1434.08   3.589     47
       1433.47   3.587     38
       1432.37   3.585     33
       1431.52   3.582     32
       1430.91   3.581     38
       1426.03   3.569    919
       1422.97   3.561    896
       1418.21   3.549     41
       1417.85   3.548     40
       1417.36   3.547     38
       1416.75   3.545     37
       1416.26   3.544     37
       1415.53   3.542     40
       1411.50   3.532    578
       1408.33   3.524    572
       1404.42   3.515     37
       1404.05   3.514     36
       1403.32   3.512     38
       1402.71   3.510     38
       1401.25   3.507     50
       1397.46   3.497    959
       1394.29   3.489    900
       1390.38   3.479     51
       1389.28   3.477     36
       1388.67   3.475     31
       1381.47   3.457     32
       1380.98   3.456     31
       1380.62   3.455     34
       1376.10   3.444    858
       1371.95   3.433     54
       1371.46   3.432     54
       1367.43   3.422    844
       1364.87   3.416    114
       1362.06   3.409    606
       1358.40   3.399    929
       1353.39   3.387    619
       1349.85   3.378    887
       1344.48   3.365    563
       1341.31   3.357     54
       1340.33   3.354     47
       1335.82   3.343    549
       1332.40   3.334     42
       1331.91   3.333     43
    

D2O



KBr disc



nujol mull