23356-96-9

L-脯氨醇(23356-96-9)質(zhì)譜(MS)

產(chǎn)品名稱:L-脯氨醇

CAS:23356-96-9

分子式:C5H11NO

分子量: 101.15

InChI:InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1

InChIKey: HVVNJUAVDAZWCB-YFKPBYRVSA-N

Smiles:N1CCC[C@H]1CO

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5569          
L-2-pyrrolidinemethanol
C5H11NO             (Mass of molecular ion:    101)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.5
      18.0       1.8
      27.0       3.9
      28.0      20.3
      29.0       1.5
      30.0       6.3
      31.0       2.8
      39.0       3.8
      41.0       9.7
      42.0       4.1
      43.0      15.0
      44.0       2.0
      53.0       1.2
      54.0       1.6
      55.0       7.4
      56.0       1.8
      68.0       5.6
      69.0       1.2
      70.0     100.0
      71.0       5.6
      82.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₁ N O	0.05 ml : 0.5 ml CDCl₃
L-2-pyrrolidinemethanol

    Assign.     Shift(ppm)

      A             3.94
      B     *1      3.556
      C     *1      3.382
      D             3.211
      E     *2      2.93
      F     *2      2.86
      G          1.81 to 1.73
      J             1.40

     Hz     ppm     Int.

   1574.22   3.939    303
   1428.71   3.575    649
   1424.56   3.565    694
   1417.72   3.548    868
   1413.57   3.538    870
   1360.47   3.405    837
   1353.27   3.387   1000
   1349.49   3.377    648
   1342.29   3.359    758
   1287.72   3.223    565
   1283.57   3.212    559
   1280.52   3.205    578
   1276.37   3.194    516
   1176.03   2.943    389
   1172.12   2.933    585
   1169.80   2.928    341
   1165.89   2.918    766
   1158.94   2.900    836
   1151.49   2.882    779
   1148.19   2.873    330
   1144.78   2.865    511
   1140.75   2.855    367
    731.20   1.830    327
    727.05   1.820    409
    725.95   1.817    468
    723.27   1.810    475
    720.21   1.803    291
    718.26   1.798    657
    716.92   1.794    543
    715.45   1.791    549
    713.99   1.787    435
    712.16   1.782    470
    710.45   1.778    572
    708.25   1.773    398
    706.30   1.768    723
    704.10   1.762    599
    701.54   1.756    372
    699.34   1.750    552
    697.63   1.746    720
    696.29   1.743    689
    692.63   1.734    472
    690.80   1.729    601
    690.43   1.728    599
    688.84   1.724    557
    687.62   1.721    508
    686.40   1.718    390
    682.62   1.709    405
    681.40   1.705    361
    680.30   1.703    377
    569.21   1.425    346
    568.24   1.422    366
    564.58   1.413    369
    560.91   1.404    409
    557.74   1.396    517
    554.08   1.387    283
    550.54   1.378    358

in CDCl3