ISOBUTYRALDEHYDE DIETHYL ACETAL(1741-41-9) IR1
Product NameISOBUTYRALDEHYDE DIETHYL ACETAL
CAS1741-41-9
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
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MassMS-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
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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
liquid film
