Mesitaldehyde(487-68-3) MS
Product NameMesitaldehyde
CAS487-68-3
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
InChIKey HIKRJHFHGKZKRI-UHFFFAOYSA-N
SmilesC(=O)C1=C(C)C=C(C)C=C1C
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MassMS-IW-4194 2,4,6-trimethylbenzaldehyde C10H12O (Mass of molecular ion: 148)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.5 39.0 3.6 41.0 5.0 51.0 3.3 52.0 1.0 53.0 2.0 63.0 1.6 65.0 3.5 74.0 1.3 77.0 8.9 78.0 2.9 79.0 4.2 91.0 14.8 92.0 1.4 93.0 1.8 103.0 5.4 104.0 3.5 105.0 9.5 115.0 4.2 116.0 1.0 117.0 6.9 118.0 2.9 119.0 64.6 120.0 8.1 121.0 4.4 135.0 1.2 136.0 3.3 146.0 3.8 147.0 100.0 148.0 77.7 149.0 8.3 164.0 4.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O 0.05 ml : 0.5 ml CDCl3 2,4,6-trimethylbenzaldehyde 
Assign. Shift(ppm)
A 10.515 B 6.856 C 2.542 D 2.284
Hz ppm Int.4202.57 10.516 408 2740.17 6.857 373 1016.24 2.543 1000 912.93 2.285 662
in CDCl3
liquid film
4880 A,200 M,liquid
