29868-06-2

异丙醇胺磷酸盐(29868-06-2)红外图谱(IR1)

产品名称:异丙醇胺磷酸盐

CAS:29868-06-2

分子式:C3H12NO5P

分子量: 173.1

InChI:InChI=1S/C3H9NO.H3O4P/c1-3(5)2-4;1-5(2,3)4/h3,5H,2,4H2,1H3;(H3,1,2,3,4)

InChIKey: NSTLSXSJOBWQLC-UHFFFAOYSA-N

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

Mass

MS-NW-5027          
1-amino-2-propanol phosphate
C3H9NO 1/2H3O4P     (Mass of molecular ion:     75)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       2.6
      17.0       2.0
      18.0       8.5
      19.0       1.3
      26.0       1.0
      27.0       4.2
      28.0      11.5
      29.0       3.1
      30.0     100.0
      31.0      13.6
      32.0       6.2
      39.0       1.3
      41.0       3.1
      42.0       5.7
      43.0       3.8
      44.0       1.7
      45.0       8.8
      56.0       3.3
      57.0       1.2
      60.0       5.5
      75.0       1.6

90 MHz in D2O

¹H NMR	89.56 MHz
C₃ H₉ N O	0.038 g : 0.5 ml D₂O
1-amino-2-propanol phosphate

    Assign.     Shift(ppm)

      A             4.081
      B     *1      3.081
      C     *1      2.915
      D             1.250
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    373.88   4.175     48
    370.19   4.134     56
    367.50   4.104     65
    365.25   4.079     71
    363.69   4.061     64
    361.44   4.036     77
    358.88   4.008     65
    355.19   3.966     63
    288.06   3.217     53
    284.38   3.176     65
    274.94   3.070    230
    273.25   3.052     54
    271.25   3.029    201
    267.44   2.987    245
    258.88   2.891    194
    254.31   2.840     64
    245.69   2.744     63
    115.06   1.285   1000
    112.88   1.261     77
    108.69   1.214    939

in D2O

KBr disc

nujol mull

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