87-91-2

L(+)-Diethyl L-tartrate(87-91-2) MS

Product NameL(+)-Diethyl L-tartrate

CAS 87-91-2

Molecular FormulaC8H14O6

Molecular Weight206.19

InChIInChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1

InChIKey YSAVZVORKRDODB-PHDIDXHHSA-N

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

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L(+)-Diethyl L-tartrate(87-91-2) MS
Mass

MS-NW-1116          
diethyl L-tartrate
C8H14O6             (Mass of molecular ion:    206)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       3.7
      18.0       2.6
      19.0      18.9
      26.0       2.2
      27.0      20.4
      28.0       6.3
      29.0      65.8
      30.0       5.4
      31.0      21.2
      41.0       1.4
      42.0       7.6
      43.0       8.8
      44.0       2.1
      45.0       8.0
      47.0      32.0
      49.0       4.2
      57.0       1.1
      58.0      10.2
      59.0      17.5
      60.0      13.8
      61.0      17.0
      69.0       1.0
      70.0       3.1
      71.0       6.1
      75.0      14.7
      76.0      81.4
      77.0      27.1
      78.0       1.1
      87.0      14.9
      88.0       5.6
      89.0       1.3
      99.0       1.0
     103.0       7.5
     104.0     100.0
     105.0      19.0
     106.0       1.2
     115.0       2.3
     116.0       1.0
     133.0      54.8
     134.0       3.3

90 MHz in CDCl3

L(+)-Diethyl L-tartrate(87-91-2) MS

¹H NMR	89.56 MHz
C₈ H₁₄ O₆	0.05 ml : 0.5 ml CDCl₃
diethyl L-tartrate

    Assign.     Shift(ppm)

      A             4.548
      B             4.311
      C             3.40
      D             1.328

     Hz     ppm     Int.

    407.38   4.549    457
    397.25   4.436    136
    390.06   4.356    432
    387.00   4.322     37
    386.31   4.314     40
    382.94   4.276    462
    379.00   4.232     30
    378.25   4.224     33
    375.88   4.197    165
    304.94   3.405    321
    125.94   1.407    499
    124.00   1.385     52
    122.94   1.373     50
    118.81   1.327   1000
    114.63   1.280     52
    111.63   1.247    448

in CDCl3