L-羥基脯氨酸(51-35-4)Raman光譜

產(chǎn)品名稱(chēng):L-羥基脯氨酸

CAS:51-35-4

分子式:C5H9NO3

分子量: 131.13

InChI:InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1

InChIKey: PMMYEEVYMWASQN-DMTCNVIQSA-N

Smiles:C(O)(=O)[C@@H]1C[C@@H](O)CN1

Mass

MS-NW-6906          
trans-4-hydroxy-L-proline
C5H9NO3             (Mass of molecular ion:    131)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       2.7
      18.0       2.0
      26.0       1.4
      27.0       5.9
      28.0      14.6
      29.0       5.4
      30.0      17.8
      31.0       3.3
      38.0       1.4
      39.0       5.3
      40.0       2.7
      41.0      37.9
      42.0      12.1
      43.0      17.9
      44.0       2.6
      45.0       3.6
      54.0       1.3
      55.0       4.5
      56.0       6.8
      57.0       4.1
      58.0       9.9
      59.0       1.8
      67.0       2.6
      68.0      35.1
      69.0      24.2
      70.0       2.0
      73.0       2.7
      84.0       2.4
      86.0     100.0
      87.0      18.2
      88.0       1.1

400 MHz in D2O

¹H NMR	399.65 MHz
C₅ H₉ N O₃	saturated in D₂O
trans-4-hydroxy-L-proline

    Assign.     Shift(ppm)

      A             4.674
      B             4.354
      C     *1      3.487
      D     *1      3.372
      E     *2      2.436
      F     *2      2.167
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1871.58   4.684    399
   1868.04   4.675    696
   1864.14   4.665    392
   1749.63   4.378    631
   1741.58   4.358    711
   1739.38   4.353    696
   1731.45   4.333    663
   1403.44   3.512    595
   1399.66   3.503    576
   1390.87   3.481   1000
   1387.08   3.471    967
   1354.37   3.389    822
   1353.03   3.386    982
   1352.42   3.385    933
   1350.95   3.381    755
   1341.80   3.358    531
   1340.33   3.354    638
   1339.72   3.353    596
   1338.38   3.349    463
    987.30   2.471    248
    985.47   2.466    376
    983.64   2.462    243
    979.37   2.451    250
    977.54   2.446    383
    975.71   2.442    274
    974.73   2.439    135
    973.27   2.436    361
    971.44   2.431    504
    969.60   2.427    304
    965.21   2.416    327
    963.50   2.411    488
    961.55   2.406    313
    878.54   2.199    456
    874.27   2.188    473
    868.29   2.173    445
    864.01   2.162    767
    860.11   2.153    369
    854.25   2.138    385
    853.88   2.137    361
    849.85   2.127    362

in D2O