2,4,5-Trimethoxybenzaldehyde(4460-86-0) MS
Product Name2,4,5-Trimethoxybenzaldehyde
CAS4460-86-0
Molecular FormulaC10H12O4
Molecular Weight196.2
InChIInChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
InChIKey IAJBQAYHSQIQRE-UHFFFAOYSA-N
SmilesC(=O)C1=CC(OC)=C(OC)C=C1OC
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MassMS2015-05119CW 2,4,5-trimethoxybenzaldehyde C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 240 °C Sample Temperature: 20 °C Direct, 70 eV
15.0 1.1 32.0 1.4 39.0 2.5 50.0 2.6 51.0 4.2 52.0 1.9 53.0 4.6 59.0 3.7 62.0 1.5 63.0 2.1 64.0 1.0 65.0 2.7 66.0 2.2 67.0 1.4 69.0 5.5 75.0 1.0 77.0 2.9 78.0 1.0 79.0 4.2 80.0 1.8 81.0 1.5 82.0 2.4 92.0 1.6 93.0 5.1 94.0 1.5 95.0 6.3 97.0 1.5 107.0 3.8 108.0 1.6 109.0 6.4 110.0 10.1 120.0 1.1 121.0 3.0 122.0 2.5 123.0 4.1 124.0 1.8 125.0 24.1 126.0 1.7 135.0 4.2 136.0 5.2 137.0 4.5 138.0 4.9 139.0 5.8 149.0 1.2 150.0 23.4 151.0 7.4 152.0 2.8 153.0 20.3 154.0 1.9 164.0 1.0 165.0 4.4 166.0 1.2 167.0 5.1 178.0 1.8 179.0 8.4 180.0 3.3 181.0 55.0 182.0 5.4 195.0 15.0 196.0 100.0 197.0 12.3 198.0 1.5
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O4 0.035 g : 0.5 ml CDCl3 2,4,5-trimethoxybenzaldehyde 
Assign. Shift(ppm)
A 10.313 B 7.316 C 6.500 D *1 3.974 E *1 3.923 F *1 3.874
Hz ppm Int.923.73 10.315 465 655.37 7.318 297 582.28 6.502 237 364.60 4.072 26 364.09 4.066 26 363.57 4.060 25 363.21 4.056 26 362.11 4.044 30 361.23 4.034 35 360.50 4.026 42 355.96 3.975 929 351.42 3.924 1000 347.02 3.875 965 343.07 3.831 33 342.77 3.828 31 342.48 3.825 29
in CDCl3
KBr disc
nujol mull
