(-)-2,3-O-Isopropylidene-D-threitol(73346-74-4) ¹³C NMR

Product Name(-)-2,3-O-Isopropylidene-D-threitol

CAS 73346-74-4

Molecular FormulaC7H14O4

Molecular Weight162.18

InChIInChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m1/s1

InChIKey INVRLGIKFANLFP-PHDIDXHHSA-N

SmilesO1[C@H](CO)[C@@H](CO)OC1(C)C

Request For Quotation

Mass

MS-NW-7959          
(-)-2,3-O-isopropylidene-D-threitol
C7H14O4             (Mass of molecular ion:    162)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       4.8
      18.0       1.2
      19.0       4.0
      27.0       5.7
      28.0       1.4
      29.0       4.6
      31.0      20.4
      39.0       4.3
      41.0      18.8
      42.0       3.9
      43.0      63.2
      44.0       3.3
      45.0       9.0
      55.0       1.7
      57.0       4.1
      58.0       2.3
      59.0     100.0
      60.0       3.7
      61.0      11.5
      69.0      21.0
      70.0       1.0
      73.0       4.2
      85.0       2.2
      87.0      10.5
     105.0       2.1
     113.0       2.0
     131.0      26.6
     132.0       1.9
     147.0      44.7
     148.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₄ O₄	0.039 g : 0.5 ml CDCl₃
(-)-2,3-O-isopropylidene-D-threitol

    Assign.     Shift(ppm)

      A             3.975
      B     *1      3.76
      C     *1      3.73
      D             3.10
      E             1.429

     Hz     ppm     Int.

   1593.02   3.987     34
   1591.43   3.983     66
   1590.33   3.980     68
   1588.75   3.976    118
   1587.28   3.972     69
   1586.18   3.969     69
   1584.59   3.965     33
   1514.28   3.790     21
   1513.55   3.788     21
   1511.72   3.783     21
   1502.32   3.760     64
   1501.34   3.757     63
   1492.55   3.735     58
   1482.06   3.709     20
   1239.99   3.103     38
    571.04   1.429   1000

in CDCl3