678-39-7

2-全氟辛基乙醇(678-39-7)質(zhì)譜(MS)

產(chǎn)品名稱:2-全氟辛基乙醇

CAS:678-39-7

分子式:C10H5F17O

分子量: 464.12

InChI:InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2

InChIKey: JJUBFBTUBACDHW-UHFFFAOYSA-N

Smiles:C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

¹HNMR

IR1

IR2

Mass

MS-IW-7454          
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol
C10H5F17O           (Mass of molecular ion:    464)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.1
      28.0       2.4
      29.0      12.2
      30.0       2.4
      31.0     100.0
      32.0       2.6
      43.0       1.5
      44.0       1.6
      45.0       2.5
      47.0       2.3
      49.0       9.4
      51.0       5.3
      58.0       1.9
      64.0       3.9
      65.0      20.5
      67.0       1.8
      69.0      34.0
      75.0       6.0
      77.0      10.1
      93.0       2.8
      95.0      67.8
      96.0       2.3
     100.0       5.4
     107.0       1.1
     113.0       1.4
     115.0       1.3
     119.0       9.7
     126.0       1.0
     127.0      16.1
     131.0      12.1
     145.0       1.9
     157.0       1.8
     169.0       4.0
     181.0       2.2
     231.0       1.1
     395.0       3.1
     396.0       3.9
     405.0       3.7
     414.0       2.2
     415.0       1.2
     444.0       4.1
     463.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₅ F₁₇ O	0.039 g : 0.5 ml CDCl₃
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol

    Assign.     Shift(ppm)

      A             3.995
      B             2.392
      C             1.84

     Hz     ppm     Int.

   1602.05   4.009    594
   1597.78   3.998   1000
   1592.04   3.984    638
   1580.93   3.956     93
   1579.10   3.952     80
   1578.13   3.949     70
   1577.76   3.948     68
   1577.27   3.947     65
   1576.42   3.945     61
   1575.20   3.942     55
   1574.71   3.941     54
   1574.34   3.940     52
   1573.73   3.938     49
   1573.12   3.937     51
   1572.27   3.935     45
   1571.66   3.933     44
   1571.29   3.932     44
   1570.68   3.931     41
   1570.19   3.929     41
   1569.58   3.928     38
   1568.60   3.925     37
   1567.63   3.923     36
   1567.14   3.922     34
   1566.77   3.921     34
   1566.28   3.920     33
   1565.67   3.918     31
   1565.31   3.917     36
   1564.82   3.916     30
   1564.33   3.915     31
   1563.96   3.914     31
   1562.01   3.909     32
    983.03   2.460    196
    976.68   2.444    336
    970.21   2.428    238
    963.87   2.412    385
    957.64   2.397    630
    953.74   2.387    309
    951.42   2.381    381
    944.95   2.365    259
    938.84   2.350    356
    932.50   2.334    206
    927.12   2.320     73
    926.03   2.318     70
    925.17   2.315     63
    924.68   2.314     59
    923.95   2.312     59
    923.58   2.311     57
    922.85   2.310     52
    922.36   2.308     52
    921.63   2.307     50
    920.65   2.304     46
    920.04   2.303     42
    919.19   2.300     40
    918.70   2.299     40
    918.09   2.298     38
    917.60   2.297     37
    916.75   2.294     34
    916.38   2.293     33
    915.89   2.292     33
    915.53   2.291     32
    914.92   2.290     31
    735.60   1.841    508

KBr disc