1,5-Pentanediol(111-29-5) Raman

Product Name1,5-Pentanediol

CAS 111-29-5

Molecular FormulaC5H12O2

Molecular Weight104.15

InChIInChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2

InChIKey ALQSHHUCVQOPAS-UHFFFAOYSA-N

SmilesC(O)CCCCO

Request For Quotation

Mass

MS-NW-1716          
1,5-pentanediol
C5H12O2             (Mass of molecular ion:    104)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       4.1
      17.0       1.3
      18.0       6.3
      19.0       6.1
      26.0       2.9
      27.0      27.9
      28.0      20.1
      29.0      33.6
      30.0       3.0
      31.0     100.0
      32.0       2.1
      33.0       2.7
      38.0       1.3
      39.0      17.0
      40.0       6.2
      41.0      70.6
      42.0      13.3
      43.0      28.9
      44.0      44.9
      45.0      14.7
      46.0       1.0
      53.0       6.7
      54.0       2.5
      55.0      51.2
      56.0      87.7
      57.0      56.9
      58.0       9.2
      61.0       3.3
      67.0      21.3
      68.0      32.2
      69.0       3.1
      71.0       3.1
      73.0       8.5
      74.0      15.3
      85.0       2.4
      86.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
1,5-pentanediol

    Assign.     Shift(ppm)

      A             3.645
      B             2.13
      C             1.57
      D             1.48

     Hz     ppm     Int.

    333.00   3.719     76
    331.44   3.701     64
    330.50   3.691     58
    329.75   3.682     66
    326.81   3.650    370
    324.00   3.618     33
    320.81   3.583    144
    190.44   2.127   1000
    149.44   1.669     55
    147.00   1.642     35
    146.69   1.638     33
    146.13   1.632     37
    144.44   1.613     67
    143.06   1.598    128
    138.81   1.550    153
    138.00   1.541    159
    135.75   1.516    185
    134.44   1.502    144
    132.50   1.480     73
    131.13   1.465     37
    130.50   1.458     43

in CDCl3