Triethyl orthoacetate(78-39-7) ¹H NMR

Product NameTriethyl orthoacetate

CAS 78-39-7

Molecular FormulaC8H18O3

Molecular Weight162.23

InChIInChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3

InChIKey NDQXKKFRNOPRDW-UHFFFAOYSA-N

SmilesC(OCC)(OCC)(OCC)C

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Mass

MS-NW-2107          
triethyl orthoacetate
C8H18O3             (Mass of molecular ion:    162)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       3.8
      15.0       9.4
      18.0       1.4
      19.0       2.9
      26.0       6.8
      27.0      34.7
      28.0       9.7
      29.0      59.5
      30.0       3.5
      31.0      72.6
      41.0       3.3
      42.0      54.9
      43.0     100.0
      44.0       4.0
      45.0      57.8
      46.0      12.7
      47.0       1.0
      59.0       2.3
      60.0      95.9
      61.0      45.7
      62.0       1.4
      63.0       1.1
      70.0       5.2
      71.0       1.7
      72.0       1.1
      73.0       3.0
      87.0       4.2
      88.0       2.3
      89.0      16.7
     116.0      30.8
     117.0      11.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O₃	0.04 ml : 0.5 ml CDCl₃
triethyl orthoacetate

    Assign.     Shift(ppm)

      A             3.541
      B             1.463
      C             1.205

     Hz     ppm     Int.

    328.13   3.664    129
    321.00   3.585    474
    313.88   3.505    506
    306.88   3.427    159
    131.00   1.463    750
    117.50   1.312     21
    114.75   1.282    507
    112.69   1.259     46
    110.56   1.235     36
    109.94   1.228     26
    107.69   1.203   1000
    100.56   1.123    434

in CDCl3