Methyl 4,5-dimethoxy-2-nitrobenzoate(26791-93-5) MS
Product NameMethyl 4,5-dimethoxy-2-nitrobenzoate
CAS26791-93-5
Molecular FormulaC10H11NO6
Molecular Weight241.2
InChIInChI=1S/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H3
InChIKey SYYKLKHBZGFKOC-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O
-
MassMS-IW-0574 methyl 4,5-dimethoxy-2-nitrobenzoate C10H11NO6 (Mass of molecular ion: 241)
Source Temperature: 170 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 4.4 17.0 1.4 18.0 7.9 28.0 2.4 30.0 3.8 39.0 4.5 43.0 1.7 50.0 5.2 51.0 1.7 53.0 3.6 59.0 7.3 62.0 1.7 63.0 1.2 64.0 1.2 65.0 2.1 66.0 3.1 69.0 4.1 75.0 2.9 76.0 1.6 77.0 7.4 78.0 3.5 79.0 4.6 80.0 1.5 81.0 2.6 82.0 7.4 85.0 1.0 91.0 1.0 92.0 2.3 93.0 8.2 94.0 3.2 95.0 1.9 105.0 1.8 106.0 1.6 107.0 2.2 108.0 1.3 109.0 4.6 121.0 4.6 122.0 4.1 123.0 3.0 124.0 2.3 125.0 1.9 134.0 2.2 135.0 1.3 136.0 14.4 137.0 11.5 138.0 1.8 140.0 1.0 150.0 1.0 151.0 3.8 152.0 4.3 153.0 1.6 155.0 4.9 164.0 1.6 165.0 6.4 166.0 1.6 180.0 5.1 181.0 4.5 183.0 4.4 195.0 9.9 196.0 1.5 210.0 29.3 211.0 11.7 212.0 1.4 225.0 1.0 241.0 100.0 242.0 11.5 243.0 1.8
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H11 N O6 0.037 g : 0.5 ml CDCl3 methyl 4,5-dimethoxy-2-nitrobenzoate 
Assign. Shift(ppm)
A 7.434 B 7.087 C 3.962 D 3.895
Hz ppm Int.665.88 7.436 186 634.75 7.088 192 354.94 3.964 1000 351.63 3.927 85 348.94 3.897 820 344.94 3.852 44 342.44 3.824 24
in CDCl3
KBr disc
nujol mull
