4-Ethoxy-3-methoxybenzaldehyde(120-25-2) MS
Product Name4-Ethoxy-3-methoxybenzaldehyde
CAS120-25-2
Molecular FormulaC10H12O3
Molecular Weight180.2
InChIInChI=1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3
InChIKey BERFDQAMXIBOHM-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(OCC)C(OC)=C1
-
MassMS-IW-0090 4-ethoxy-3-methoxybenzaldehyde C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.5 28.0 1.3 29.0 5.5 31.0 1.2 38.0 1.0 39.0 2.8 41.0 2.5 50.0 2.6 51.0 7.2 52.0 4.4 53.0 3.5 55.0 1.5 62.0 1.3 63.0 3.5 64.0 1.1 65.0 5.6 67.0 2.3 76.0 1.2 77.0 6.2 79.0 5.2 80.0 3.0 81.0 7.3 91.0 1.6 92.0 1.1 93.0 1.9 95.0 5.9 105.0 1.2 108.0 2.6 109.0 11.4 119.0 2.6 121.0 1.5 123.0 10.3 124.0 1.7 137.0 7.0 149.0 1.2 151.0 100.0 152.0 56.0 153.0 5.2 180.0 59.7 181.0 6.9
400 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H12 O3 0.039 g : 0.5 ml CDCl3 4-ethoxy-3-methoxybenzaldehyde 
Assign. Shift(ppm)
A 9.848 B 7.441 C 7.413 D 6.971 E 4.194 F 3.936 G 1.514
Hz ppm Int.3935.85 9.849 500 2979.28 7.455 113 2977.45 7.451 139 2971.19 7.435 108 2969.21 7.430 162 2963.56 7.416 223 2961.73 7.411 161 2790.22 6.982 179 2781.98 6.962 165 1686.86 4.221 88 1679.84 4.204 266 1672.82 4.186 271 1665.80 4.169 95 1573.03 3.937 1000 612.18 1.532 325 605.16 1.515 615 598.14 1.497 318
in CDCl3
KBr disc
nujol mull
