L-高絲氨酸內(nèi)酯鹽酸鹽(2185-03-7)核磁圖(¹HNMR)

產(chǎn)品名稱:L-高絲氨酸內(nèi)酯鹽酸鹽

CAS:2185-03-7

分子式:C4H8ClNO2

分子量: 137.56

InChI:InChI=1/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/s3

InChIKey: XBKCXPRYTLOQKS-OQFXAWDINA-N

Smiles:[C@H]1(N)CCOC1=O.Cl |&1:0,r|

¹HNMR

¹³CNMR

Mass

MS-KW-0090          
(S)-3-amino-4,5-dihydro-2(3H)-furanone hydrochloride
C4H7NO2 HCl         (Mass of molecular ion:    101)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.2
      15.0       5.1
      17.0       1.7
      17.5       1.0
      18.0      11.2
      26.0       4.3
      26.5       1.2
      27.0      10.7
      27.5       1.9
      28.0      47.6
      29.0      19.6
      30.0      21.7
      31.0       1.0
      35.0       5.3
      36.0      71.7
      37.0       1.9
      38.0      23.9
      40.0       2.5
      41.0       5.3
      42.0      24.1
      43.0     100.0
      44.0      14.4
      45.0       1.5
      52.0       1.2
      53.0       1.0
      54.0       2.3
      55.0       3.4
      56.0      28.4
      57.0      55.3
      58.0       2.1
      72.0       2.3
      73.0       4.9
      74.0       2.1
     101.0      17.6
     102.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₇ N O₂	0.033 g : 0.5 ml DMSO-d₆
(S)-3-amino-4,5-dihydro-2(3H)-furanone hydrochloride

    Assign.     Shift(ppm)

      A             9.07
      B     *1      4.458
      C             4.341
      D     *1      4.300
      E     *2      2.578
      F     *2      2.387

     Hz     ppm     Int.

   3626.71   9.075    500
   1791.38   4.483    429
   1790.62   4.481    448
   1782.68   4.461   1000
   1781.62   4.458    971
   1773.99   4.439    579
   1772.92   4.437    529
   1745.61   4.368    709
   1736.76   4.346    876
   1734.47   4.340    916
   1730.04   4.329    484
   1725.46   4.318    896
   1724.09   4.314    703
   1721.19   4.307    487
   1719.36   4.303    561
   1715.09   4.292    459
   1713.26   4.287    530
   1710.51   4.281    443
   1704.41   4.265    332
   1045.84   2.617    216
   1044.77   2.615    229
   1039.73   2.602    275
   1038.36   2.599    285
   1037.14   2.596    296
   1035.92   2.593    310
   1033.48   2.586    376
   1032.26   2.583    410
   1031.34   2.581    376
   1029.82   2.577    320
   1027.53   2.572    381
   1026.31   2.569    372
   1024.93   2.565    368
   1023.56   2.562    346
   1018.52   2.549    312
   1017.61   2.547    298
    974.58   2.439    203
    965.42   2.416    317
    963.59   2.412    455
    954.44   2.389    499
    953.06   2.385    465
    942.38   2.359    358
    940.25   2.353    235
    931.24   2.331    139

in DMSO-d6