(2R,4R)-(-)-PENTANEDIOL(42075-32-1) IR1

Product Name(2R,4R)-(-)-PENTANEDIOL

CAS 42075-32-1

Molecular FormulaC5H12O2

Molecular Weight104.15

InChIInChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1

InChIKey GTCCGKPBSJZVRZ-RFZPGFLSSA-N

SmilesC[C@@H](O)C[C@H](O)C

Request For Quotation

Mass

MS-NW-6521          
(2R,4R)-(-)-2,4-pentanediol
C5H12O2             (Mass of molecular ion:    104)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.4
      18.0       4.7
      19.0       4.1
      27.0       6.9
      28.0       1.2
      29.0       4.4
      31.0       3.2
      39.0       5.0
      40.0       2.6
      41.0      13.1
      42.0      46.2
      43.0      22.1
      44.0       4.1
      45.0     100.0
      46.0       2.5
      47.0       1.1
      53.0       1.1
      58.0       1.8
      59.0       1.5
      63.0       4.0
      67.0       1.3
      71.0      16.1
      86.0       1.8
      89.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ O₂	0.040 g : 0.5 ml CDCl₃
(2r,4r)-(-)-2,4-pentanediol

    Assign.     Shift(ppm)

      A             4.131
      B             3.52
      C             1.577
      D             1.224
     
     J(A,D)=6.3HZ.

     Hz     ppm     Int.

    378.94   4.232     49
    373.69   4.173     67
    372.69   4.162     80
    367.44   4.103     86
    366.56   4.093     67
    361.25   4.034     55
    314.88   3.516    680
    146.88   1.641    174
    141.63   1.582    157
    140.75   1.572    166
    135.50   1.513    156
    112.69   1.259   1000
    108.50   1.212     29
    106.44   1.189    952

in CDCl3