(S)-(+)-1,2-Propanediol(4254-15-3) MS

Product Name(S)-(+)-1,2-Propanediol

CAS 4254-15-3

Molecular FormulaC3H8O2

Molecular Weight76.09

InChIInChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1

InChIKey DNIAPMSPPWPWGF-VKHMYHEASA-N

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

Request For Quotation

(S)-(+)-1,2-Propanediol(4254-15-3) MS
Mass

MS-IW-3593          
(S)-(+)-1,2-propanediol
C3H8O2              (Mass of molecular ion:     76)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       6.0
      19.0       8.5
      26.0       2.2
      27.0      17.7
      28.0       6.1
      29.0      14.7
      30.0       1.4
      31.0      22.4
      32.0       1.0
      33.0       3.1
      39.0       2.6
      41.0       4.1
      42.0       3.9
      43.0      33.2
      44.0      13.1
      45.0     100.0
      46.0       5.6
      57.0       5.2
      58.0       1.9
      59.0       1.9
      61.0      13.1
      76.0       1.9

400 MHz in CDCl3

(S)-(+)-1,2-Propanediol(4254-15-3) MS

¹H NMR	399.65 MHz
C₃ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
(S)-(+)-1,2-propanediol

    Assign.     Shift(ppm)

      A             4.56
      B             3.855
      C     *1      3.552
      D     *1      3.371
      E             1.126
     
     J(B,C)=3.1HZ
     J(B,D)=7.7HZ

     Hz     ppm     Int.

   1822.27   4.560    498
   1549.44   3.877     71
   1548.34   3.875     52
   1546.39   3.870     80
   1542.97   3.861     86
   1541.87   3.859     99
   1539.92   3.854     95
   1538.70   3.851     91
   1535.40   3.842     84
   1532.35   3.835     76
   1427.61   3.573    114
   1424.56   3.565    109
   1416.26   3.544    150
   1413.21   3.537    138
   1355.96   3.393    200
   1348.27   3.374    190
   1344.60   3.365    157
   1336.91   3.346    142
    453.37   1.135   1000
    446.90   1.119    907

in CDCl3