ISOBUTYRALDEHYDE DIETHYL ACETAL(1741-41-9) MS

Product NameISOBUTYRALDEHYDE DIETHYL ACETAL

CAS 1741-41-9

Molecular FormulaC8H18O2

Molecular Weight146.23

InChIInChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3

InChIKey KZDFOVZPOBSHDH-UHFFFAOYSA-N

SmilesC(OCC)(OCC)C(C)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

ISOBUTYRALDEHYDE DIETHYL ACETAL(1741-41-9) MS
Mass

MS-IW-3553          
isobutyraldehyde diethyl acetal
C8H18O2             (Mass of molecular ion:    146)

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

      15.0       2.7
      18.0       1.1
      19.0       2.8
      26.0       2.8
      27.0      26.4
      28.0       7.2
      29.0      42.9
      30.0       2.0
      31.0      24.2
      39.0       8.3
      40.0       1.5
      41.0      23.5
      42.0       7.9
      43.0      70.0
      44.0       3.8
      45.0      32.5
      46.0       4.7
      47.0      84.9
      48.0       1.3
      53.0       1.1
      55.0      30.5
      56.0       4.3
      57.0      14.3
      58.0       1.6
      59.0       2.1
      61.0       1.2
      70.0       1.3
      71.0      21.2
      72.0       8.7
      73.0      95.3
      74.0       5.3
      75.0      81.0
      76.0       2.8
      85.0       2.0
      88.0       5.3
      89.0       5.2
     100.0       3.4
     101.0      80.9
     102.0       5.4
     103.0     100.0
     104.0       6.3
     116.0       5.1
     117.0       1.3

400 MHz in CDCl3

ISOBUTYRALDEHYDE DIETHYL ACETAL(1741-41-9) MS

¹H NMR	399.65 MHz
C₈ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
isobutyraldehyde diethyl acetal

    Assign.     Shift(ppm)

      A             4.097
      B     *1      3.663
      C     *1      3.501
      D             1.875
      E             1.206
      F             0.919
     
     J(B,C)=-9.6HZ

     Hz     ppm     Int.

   1641.08   4.107    175
   1634.22   4.090    175
   1479.95   3.704     57
   1472.93   3.686    164
   1470.49   3.680     76
   1465.91   3.668    166
   1463.47   3.662    206
   1458.74   3.651     64
   1456.45   3.645    206
   1449.43   3.627     72
   1414.18   3.539     64
   1407.17   3.522    190
   1404.72   3.515     58
   1400.15   3.504    194
   1397.71   3.498    149
   1392.97   3.486     72
   1390.53   3.480    148
   1383.51   3.462     52
    759.74   1.902     63
    753.02   1.885    106
    746.31   1.868    107
    739.44   1.851     67
    489.20   1.225    680
    486.60   1.218     49
    482.18   1.207   1000
    475.01   1.189    631
    370.79   0.928    867
    363.92   0.911    830

in CDCl3