Cuminaldehyde(122-03-2) MS
Product NameCuminaldehyde
CAS122-03-2
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKey WTWBUQJHJGUZCY-UHFFFAOYSA-N
SmilesC1(C(C)C)C=CC(C=O)=CC=1
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MassMS-NW-3671 p-isopropylbenzaldehyde C10H12O (Mass of molecular ion: 148)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.0 27.0 8.6 28.0 1.0 29.0 2.9 38.0 1.4 39.0 9.8 41.0 11.3 43.0 1.4 50.0 6.3 51.0 15.6 52.0 3.4 53.0 2.8 55.0 1.1 62.0 1.9 63.0 5.2 64.0 1.3 65.0 5.4 66.0 1.2 74.0 2.8 75.0 2.7 76.0 3.1 77.0 28.9 78.0 7.6 79.0 21.2 80.0 1.6 89.0 2.0 90.0 1.5 91.0 22.0 92.0 2.2 101.0 1.0 102.0 3.1 103.0 15.2 104.0 6.1 105.0 68.0 106.0 6.4 107.0 1.7 115.0 5.8 116.0 1.3 117.0 5.2 118.0 1.4 119.0 29.0 120.0 3.6 129.0 1.8 130.0 1.1 131.0 3.6 132.0 4.4 133.0 100.0 134.0 9.8 135.0 1.8 147.0 11.0 148.0 66.5 149.0 7.9 150.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O 0.04 ml : 0.5 ml CDCl3 p-isopropylbenzaldehyde 
Assign. Shift(ppm)
A 9.96 B 7.80 C 7.38 D 2.97 E 1.278
Hz ppm Int.892.31 9.964 262 703.49 7.855 143 701.66 7.835 56 697.05 7.784 64 695.14 7.762 227 693.53 7.744 41 664.45 7.420 193 663.94 7.414 160 662.84 7.402 49 662.40 7.397 55 657.86 7.346 43 656.40 7.330 113 655.96 7.325 122 274.15 3.062 30 267.11 2.983 44 260.16 2.905 36 117.63 1.314 1000 110.74 1.237 867
in CDCl3
liquid film
4880 A,200 M,liquid
