375-82-6

1H,1H-PERFLUORO-1-HEPTANOL(375-82-6) IR1

Product Name1H,1H-PERFLUORO-1-HEPTANOL

CAS 375-82-6

Molecular FormulaC7H3F13O

Molecular Weight350.08

InChIInChI=1S/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2

InChIKey STLNAVFVCIRZLL-UHFFFAOYSA-N

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

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¹HNMR

IR1

1H,1H-PERFLUORO-1-HEPTANOL(375-82-6) IR1
Mass

MS-IW-9525          
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-heptanol
C7H3F13O            (Mass of molecular ion:    350)

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

      29.0      10.0
      30.0       1.1
      31.0     100.0
      32.0       1.2
      33.0       3.1
      43.0       1.0
      49.0       8.0
      51.0       4.0
      61.0       5.2
      69.0      13.2
      81.0       2.7
      93.0       1.0
      95.0       1.0
     100.0       3.4
     113.0       1.7
     119.0       3.1
     131.0       8.2

400 MHz in DMSO-d6

1H,1H-PERFLUORO-1-HEPTANOL(375-82-6) IR1

¹H NMR	399.65 MHz
C₇H₃F₁₃O	0.05 ml : 0.5 ml DMSO-d₆
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-heptanol

    Assign.     Shift(ppm)

     A           6.13
     B           3.988

     Hz     ppm     Int.

   2449.47   6.127    484
   2442.88   6.111   1000
   2436.16   6.094    491
   1614.87   4.040    234
   1608.28   4.023    232
   1599.74   4.002    467
   1593.14   3.986    440
   1584.72   3.964    244
   1578.01   3.948    225

liquid film