15159-65-6

L(+)-2-氨基-4-溴丁酸氫溴酸鹽(15159-65-6)紅外圖譜(IR1)

產(chǎn)品名稱:L(+)-2-氨基-4-溴丁酸氫溴酸鹽

CAS:15159-65-6

分子式:C4H9Br2NO2

分子量: 262.93

InChI:InChI=1/C4H8BrNO2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/s3

InChIKey: JDLMXICGDYZOJH-OQFXAWDINA-N

Smiles:[C@@H](N)(C(=O)O)CCBr.Br |&1:0,r|

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0088          
(S)-2-amino-4-bromobutyric acid hydrobromide
C4H8BrNO2 HBr       (Mass of molecular ion:    181)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.6
      17.0       1.1
      18.0       5.4
      26.0       2.4
      27.0       4.8
      28.0      23.3
      29.0       7.1
      30.0       6.8
      39.0       1.2
      39.5       1.8
      40.0       3.4
      40.5       1.8
      41.0       4.0
      42.0       7.5
      43.0      25.4
      44.0       4.3
      52.0       1.3
      53.0       1.0
      54.0       3.6
      55.0       4.8
      56.0       8.4
      57.0      12.8
      73.0       1.1
      74.0       2.3
      79.0      31.9
      80.0     100.0
      81.0      31.4
      82.0      98.7
     101.0       2.6
     136.0       4.2
     138.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₈ Br N O₂	0.037 g : 0.5 ml DMSO-d₆
(S)-2-amino-4-bromobutyric acid hydrobromide

    Assign.     Shift(ppm)

      A             8.45
      B             4.014
      C     *1      3.705
      D     *1      3.646
      E             2.351

     Hz     ppm     Int.

   3377.84   8.452    985
   1612.40   4.035    196
   1606.60   4.021    343
   1604.31   4.015    320
   1602.17   4.009    341
   1590.27   3.980     54
   1495.21   3.742    170
   1487.88   3.723    398
   1484.99   3.716    395
   1480.71   3.706    287
   1477.66   3.698    740
   1470.49   3.680    401
   1467.74   3.673    385
   1464.69   3.665    118
   1460.88   3.656    667
   1457.52   3.647    274
   1453.55   3.638    414
   1450.65   3.630    357
   1446.69   3.620     61
   1443.48   3.612    183
    968.02   2.423     50
    961.00   2.405    122
    953.37   2.386    299
    946.35   2.368    733
    939.64   2.352   1000
    932.62   2.334    760
    925.14   2.315    384
    919.80   2.302     77
    917.66   2.297    144
    914.00   2.288     82
    913.24   2.286     84
    910.64   2.279     92
    901.95   2.257     42

in DMSO-d6