376-90-9

2,2,3,3,4,4-HEXAFLUORO-1,5-PENTANEDIOL(376-90-9) ¹H NMR

Product Name2,2,3,3,4,4-HEXAFLUORO-1,5-PENTANEDIOL

CAS 376-90-9

Molecular FormulaC5H6F6O2

Molecular Weight212.09

InChIInChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2

InChIKey IELVMUPSWDZWSD-UHFFFAOYSA-N

SmilesC(O)C(F)(F)C(F)(F)C(F)(F)CO

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2,2,3,3,4,4-HEXAFLUORO-1,5-PENTANEDIOL(376-90-9) <sup>1</sup>H NMR
Mass

MS-IW-9183          
2,2,3,3,4,4-hexafluoro-1,5-pentanediol
C5H6F6O2            (Mass of molecular ion:    212)

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

      29.0       7.7
      31.0     100.0
      32.0       1.7
      33.0       3.3
      49.0       1.8
      51.0       4.4
      61.0       6.7
      62.0       2.5
      64.0       2.5
      69.0       2.6
      75.0       1.1
      77.0       2.5
      80.0       1.1
      81.0       1.0
      95.0       3.0
     100.0       1.8
     111.0       2.4
     113.0       1.0
     123.0       1.2
     132.0       2.3
     142.0      13.3
     143.0       1.0
     155.0       1.1
     162.0       7.2

400 MHz in DMSO-d6

2,2,3,3,4,4-HEXAFLUORO-1,5-PENTANEDIOL(376-90-9) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₅ H₆ F₆ O₂	0.040 g : 0.5 ml DMSO-d₆
2,2,3,3,4,4-hexafluoro-1,5-pentanediol

    Assign.     Shift(ppm)

      A             5.92
      B             3.907

     Hz     ppm     Int.

   2377.32   5.949     28
   2371.22   5.934    389
   2364.75   5.918   1000
   2358.15   5.901    380
   1588.87   3.976     24
   1588.13   3.974     26
   1579.71   3.953    189
   1578.00   3.949    181
   1574.46   3.940    251
   1564.58   3.915    460
   1558.35   3.900    450
   1552.25   3.885    192
   1548.22   3.874    245
   1544.43   3.865    167
   1542.85   3.861    175
   1536.13   3.844     28

in DMSO-d6