5424-29-3

2-甲基-DL-絲氨酸水合物(5424-29-3)紅外圖譜(IR1)

產(chǎn)品名稱:2-甲基-DL-絲氨酸水合物

CAS:5424-29-3

分子式:C4H9NO3

分子量: 119.12

InChI:InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey: CDUUKBXTEOFITR-BYPYZUCNSA-N

Smiles:C(O)(=O)[C@](C)(CO)N

¹HNMR

IR1

IR2

Mass

MS-NW-6928          
2-methyl-DL-serine
C4H9NO3             (Mass of molecular ion:    119)

   Source Temperature: 220 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       8.4
      18.0      10.3
      26.0       1.6
      27.0       5.8
      28.0      18.7
      29.0       8.9
      30.0       6.2
      31.0       7.6
      38.0       1.0
      39.0       2.7
      40.0       3.3
      41.0       8.1
      42.0     100.0
      43.0      13.6
      44.0       4.8
      45.0       4.0
      54.0       1.2
      55.0       1.7
      56.0      19.7
      57.0      10.3
      58.0       3.0
      59.0       1.2
      60.0       1.7
      71.0       2.0
      72.0       1.4
      74.0      39.6
      75.0       1.6
      88.0      45.5
      89.0       4.7

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₉ N O₃	saturated in D₂O
2-methyl-DL-serine

    Assign.     Shift(ppm)

      A     *1      3.900
      B     *1      3.687
      C             1.431
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    358.00   3.998     95
    345.94   3.863    251
    333.63   3.726    247
    321.56   3.591     95
    128.19   1.432   1000

KBr disc

nujol mull

Hubei xin bonus chemical co. LTD

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2-甲基-DL-絲氨酸水合物(5424-29-3)紅外圖譜(IR1)