632-12-2

异丝氨酸(新增1克包装05.03)(632-12-2)红外图谱(IR1)

产品名称:异丝氨酸(新增1克包装05.03)

CAS:632-12-2

分子式:C3H7NO3

分子量: 105.09

InChI:InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)

InChIKey: BMYNFMYTOJXKLE-UHFFFAOYSA-N

Smiles:C(O)(=O)C(CN)O

¹HNMR

IR1

IR2

Mass

MS-NW-5053          
(+-)-3-amino-2-hydroxypropionic acid
C3H7NO3             (Mass of molecular ion:    105)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       3.9
      17.0       1.2
      18.0       6.9
      27.0       1.5
      28.0      11.6
      29.0       5.0
      30.0     100.0
      31.0       2.5
      41.0       2.2
      42.0       9.3
      43.0       5.1
      44.0       5.4
      45.0       2.5
      58.0       2.7
      59.0       1.2
      60.0       8.6
      76.0       1.1

parameter in D2O

¹H NMR	300 MHz
C₃ H₇ N O₃	saturated in D₂O
(+-)-3-amino-2-hydroxypropionic acid

    Parameter     ppm  Hz

      D(A)         4.224
      D(B)  *1     3.329
      D(C)  *1     3.145
       J(A,B)          4.4
       J(A,C)          8.0
       J(B,C)        -13.0

     Hz     ppm     Int.

   1273.47   4.245    766
   1269.04   4.230    801
   1265.51   4.218    814
   1261.08   4.204    830
   1008.15   3.360    618
   1003.73   3.346    611
    995.15   3.317   1000
    990.73   3.302    957
    953.18   3.177   1000
    945.22   3.151    947
    940.19   3.134    627
    932.22   3.107    599

KBr disc