431-46-9

三氟乙醛缩甲基半醇(431-46-9)红外图谱(IR1)

产品名称:三氟乙醛缩甲基半醇

CAS:431-46-9

分子式:C3H5F3O2

分子量: 130.07

InChI:InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3

InChIKey: GWTBCUWZAVMAQV-UHFFFAOYSA-N

Smiles:C(O)(OC)C(F)(F)F

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8219          
2,2,2-trifluoro-1-methoxyethanol
C3H5F3O2            (Mass of molecular ion:    130)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      12.0       1.4
      13.0       1.1
      14.0       1.6
      15.0      13.5
      17.0       8.1
      18.0      41.1
      19.0       1.1
      28.0      12.0
      29.0     100.0
      30.0       6.6
      31.0      83.2
      32.0      56.2
      33.0      12.4
      35.0       1.4
      43.0       1.6
      45.0       1.5
      47.0       2.2
      48.0       1.3
      49.0       1.9
      50.0      49.7
      51.0      88.8
      52.0       1.1
      59.0       1.6
      61.0      15.7
      63.0       6.5
      69.0      39.9
      78.0       2.4
      79.0       7.7
      80.0       1.4
      82.0       1.9
      91.0       1.3
      98.0      31.8
      99.0       5.7
     113.0       3.5

400 MHz in D2O

¹H NMR	399.65 MHz
C₃ H₅ F₃ O₂	0.05 ml : 0.5 ml D₂O
2,2,2-trifluoro-1-methoxyethanol

    Assign.     Shift(ppm)

      A             5.298
      B             3.367

     Hz     ppm     Int.

   2123.54   5.314     88
   2119.38   5.304    240
   2115.23   5.293    239
   2111.08   5.283     89
   1345.70   3.368   1000

in D2O

liquid film

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