2,4,5-TRIMETHYLBENZALDEHYDE(5779-72-6) MS
Product Name2,4,5-TRIMETHYLBENZALDEHYDE
CAS5779-72-6
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3
InChIKey LROJZZICACKNJL-UHFFFAOYSA-N
SmilesC(=O)C1=CC(C)=C(C)C=C1C
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MassMS-IW-4854 2,4,5-trimethylbenzaldehyde C10H12O (Mass of molecular ion: 148)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.6 39.0 5.8 41.0 6.0 50.0 1.8 51.0 5.8 52.0 1.8 53.0 2.9 60.0 1.1 62.0 1.0 63.0 3.1 64.0 1.0 65.0 4.5 66.0 1.2 74.0 3.5 77.0 10.2 78.0 3.2 79.0 4.4 89.0 1.1 91.0 16.1 92.0 1.5 93.0 1.6 102.0 1.2 103.0 5.4 104.0 3.6 105.0 13.5 106.0 1.2 115.0 4.9 116.0 1.2 117.0 5.9 118.0 2.0 119.0 51.9 120.0 7.0 133.0 2.9 147.0 100.0 148.0 77.2 149.0 8.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O 0.040 g : 0.5 ml CDCl3 2,4,5-trimethylbenzaldehyde 
Assign. Shift(ppm)
A 10.178 B 7.537 C 7.012 D 2.584 E 2.279
Hz ppm Int.4067.84 10.179 338 3012.24 7.538 181 2802.89 7.014 153 1033.02 2.585 539 911.10 2.280 1000
in CDCl3
KBr disc
nujol mull
