2,3,4-Trimethoxybenzaldehyde(2103-57-3) IR1
Product Name2,3,4-Trimethoxybenzaldehyde
CAS2103-57-3
Molecular FormulaC10H12O4
Molecular Weight196.2
InChIInChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
InChIKey UCTUXUGXIFRVGX-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(OC)C(OC)=C1OC
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MassMS-NW-8748 2,3,4-trimethoxybenzaldehyde C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 3.9 18.0 4.6 27.0 1.6 28.0 5.3 29.0 2.5 37.0 1.2 38.0 4.6 39.0 14.4 41.0 3.3 43.0 2.7 45.0 1.6 50.0 5.0 51.0 8.5 52.0 3.1 53.0 8.0 54.0 1.8 55.0 2.8 59.0 1.5 62.0 1.8 63.0 3.2 64.0 1.9 65.0 13.6 66.0 5.4 67.0 6.5 69.0 3.1 75.0 1.8 76.0 4.4 77.0 10.7 78.0 5.8 79.0 8.1 80.0 2.9 81.0 4.0 82.0 7.0 90.0 2.3 91.0 2.8 92.0 4.0 93.0 10.3 94.0 4.9 95.0 15.5 96.0 1.7 97.0 3.4 104.0 3.4 105.0 5.5 106.0 6.3 107.0 10.1 108.0 5.3 109.0 5.5 110.0 10.4 118.0 2.0 119.0 4.0 120.0 12.7 121.0 5.9 122.0 4.1 123.0 14.5 124.0 2.2 125.0 6.0 132.0 1.2 133.0 2.2 134.0 5.5 135.0 18.0 136.0 7.9 137.0 10.0 138.0 7.0 139.0 5.3 147.0 1.0 148.0 9.6 149.0 5.7 150.0 20.9 151.0 13.8 152.0 8.3 153.0 9.4 154.0 1.6 162.0 1.2 163.0 33.9 164.0 4.0 165.0 6.9 166.0 6.6 167.0 8.4 168.0 1.9 177.0 2.6 178.0 10.6 179.0 20.3 180.0 4.8 181.0 40.1 182.0 4.0 195.0 13.9 196.0 100.0 197.0 11.5 198.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O4 0.058 g : 0.5 ml CDCl3 2,3,4-trimethoxybenzaldehyde 
Assign. Shift(ppm)
A 10.244 B 7.598 C 6.767 D 4.034 E 3.941 F 3.890 J(B,C)=8.8HZ J(A,C)=0.6HZ
Hz ppm Int.917.80 10.248 209 917.21 10.242 197 685.33 7.653 136 676.54 7.555 169 610.11 6.813 109 601.32 6.715 88 361.38 4.036 1000 353.03 3.942 865 348.49 3.892 993
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
