3,4-Dimethoxyacetophenone(1131-62-0) 13C NMR
Product Name3,4-Dimethoxyacetophenone
CAS1131-62-0
Molecular FormulaC10H12O3
Molecular Weight180.2
InChIInChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKey IQZLUWLMQNGTIW-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(OC)C(OC)=C1)C
-
MassMS-NW-6538 3',4'-dimethoxyacetophenone C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.8 18.0 1.5 28.0 1.5 39.0 2.1 41.0 1.2 43.0 13.3 50.0 3.1 51.0 6.7 52.0 1.5 53.0 2.0 62.0 1.5 63.0 3.5 64.0 1.4 65.0 2.2 66.0 2.2 74.0 1.0 75.0 1.2 76.0 2.5 77.0 11.7 78.0 2.0 79.0 8.4 91.0 2.2 92.0 4.1 94.0 5.0 95.0 1.0 105.0 1.5 107.0 3.9 109.0 3.5 119.0 2.5 120.0 1.5 121.0 1.7 122.0 6.6 123.0 1.1 137.0 10.2 138.0 1.0 165.0 100.0 166.0 10.9 167.0 1.1 180.0 54.0 181.0 6.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H12 O3 0.050 g : 0.5 ml CDCl3 3',4'-dimethoxyacetophenone 
Assign. Shift(ppm)
A 7.58 B 7.53 C 6.89 D *1 3.949 E *1 3.938 F 2.567 J(A,C)=8.6HZ. J(A,B)=2.0HZ.
Hz ppm Int.684.13 7.639 43 682.13 7.617 68 674.50 7.532 265 673.50 7.521 48 621.00 6.934 55 620.19 6.925 41 613.19 6.847 33 612.50 6.839 42 353.69 3.950 659 352.69 3.939 712 229.88 2.567 1000
in CDCl3
KBr disc
nujol mull
