1,3-Propanediol(504-63-2) Raman

Product Name1,3-Propanediol

CAS 504-63-2

Molecular FormulaC3H8O2

Molecular Weight76.09

InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

InChIKey YPFDHNVEDLHUCE-UHFFFAOYSA-N

SmilesC(O)CCO

Request For Quotation

Mass

MS-NW-1699          
1,3-propanediol
C3H8O2              (Mass of molecular ion:     76)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.2
      15.0       4.0
      17.0       1.1
      18.0       5.3
      19.0      13.9
      26.0       6.9
      27.0      26.4
      28.0     100.0
      29.0      26.4
      30.0      16.0
      31.0      73.7
      32.0       1.3
      38.0       1.1
      39.0       4.5
      40.0       3.8
      41.0       4.9
      42.0       3.8
      43.0      16.8
      44.0       4.1
      45.0      20.8
      46.0      13.1
      47.0       3.9
      49.0       1.1
      55.0       2.6
      56.0       1.7
      57.0      62.7
      58.0      80.1
      59.0       4.1
      87.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₈ O₂	0.04 ml : 0.5 ml CDCl₃
1,3-propanediol

    Assign.     Shift(ppm)

      A             3.833
      B             2.75
      C             1.81

     Hz     ppm     Int.

    349.19   3.899    718
    343.63   3.837   1000
    337.75   3.772    842
    246.25   2.750    602
    173.38   1.936     94
    167.38   1.869    259
    162.75   1.818    153
    161.88   1.808    362
    155.75   1.740    206
    150.63   1.682     85

in CDCl3