344-25-2

D-脯氨酸(344-25-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:D-脯氨酸

CAS:344-25-2

分子式:C5H9NO2

分子量: 115.13

InChI:InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

InChIKey: ONIBWKKTOPOVIA-SCSAIBSYSA-N

Smiles:C(O)(=O)[C@H]1CCCN1

Mass

MS-IW-2642          
D-(+)-proline
C5H9NO2             (Mass of molecular ion:    115)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.1
      27.0       3.3
      28.0      20.4
      29.0       1.0
      30.0       2.8
      39.0       5.3
      40.0       1.7
      41.0      19.5
      42.0       5.7
      43.0      20.8
      44.0       1.3
      45.0       1.6
      68.0       9.9
      69.0       5.7
      70.0     100.0
      71.0       5.4
      87.0       1.1
     115.0       1.2

400 MHz in D2O

¹H NMR	399.65 MHz
C₅ H₉ N O₂	0.042 g : 0.5 ml D₂O
D-(+)-proline

    Assign.     Shift(ppm)

      B             4.132
      C     *1      3.424
      D     *1      3.343
      E     *2      2.352
      F     *2      2.07
      G          2.05 to 1.98
     
     ASSIGNED BY H-H COSY.
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

   1659.30   4.152    610
   1653.20   4.137    768
   1650.63   4.131    891
   1647.34   4.122     53
   1644.17   4.115    898
   1383.54   3.462    241
   1376.46   3.445    433
   1376.22   3.444    433
   1371.95   3.433    473
   1370.12   3.429    272
   1369.38   3.427    266
   1364.62   3.415    759
   1357.79   3.398    369
   1347.29   3.372    598
   1344.48   3.365     35
   1340.09   3.354   1000
   1335.57   3.342    372
   1333.01   3.336    466
   1328.61   3.325    484
   1323.36   3.312     96
   1321.41   3.307    246
    958.50   2.399    153
    950.93   2.380    271
    945.07   2.365    342
    942.50   2.359    215
    938.84   2.350    478
    936.89   2.345    325
    936.52   2.344    324
    932.01   2.333    261
    930.18   2.328    429
    924.07   2.313    137
    846.19   2.118    157
    839.72   2.102    378
    838.62   2.099    312
    832.03   2.082    574
    825.93   2.067    458
    825.44   2.066    462
    822.39   2.058    137
    820.56   2.054    328
    818.48   2.048    553
    817.99   2.047    560
    815.55   2.041    454
    813.48   2.036    462
    811.89   2.032    832
    809.33   2.026    678
    805.18   2.015    833
    801.64   2.006    710
    798.95   2.000    563
    794.19   1.988    513
    791.75   1.982    201
    788.70   1.974    137
    787.23   1.970    187
    781.49   1.956     65
    781.25   1.955     65

in D2O