3,4-DIMETHOXYBENZOYL CHLORIDE(3535-37-3) MS
Product Name3,4-DIMETHOXYBENZOYL CHLORIDE
CAS3535-37-3
Molecular FormulaC9H9ClO3
Molecular Weight200.62
InChIInChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey VIOBGCWEHLRBEP-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=C(OC)C(OC)=C1
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MassMS-IW-0002 3,4-dimethoxybenzoyl chloride C9H9ClO3 (Mass of molecular ion: 200)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.6 28.0 2.6 36.0 2.6 38.0 1.2 39.0 1.4 41.0 1.3 43.0 1.1 50.0 4.0 51.0 8.1 53.0 2.4 62.0 1.9 63.0 3.4 64.0 1.5 65.0 2.3 66.0 2.1 74.0 1.1 75.0 1.5 76.0 2.4 77.0 13.0 78.0 1.7 79.0 11.3 82.5 1.6 91.0 1.5 92.0 4.4 93.0 1.6 94.0 5.4 105.0 1.0 107.0 3.8 109.0 1.9 119.0 1.9 120.0 1.4 121.0 2.4 122.0 7.2 137.0 13.0 138.0 1.5 149.0 1.1 165.0 100.0 166.0 10.2 167.0 1.7 182.0 1.9 200.0 18.3 201.0 1.9 202.0 6.1
parameter in CDCl3
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1H NMR 300 MHz C9 H9 Cl O3 0.039 g : 0.5 ml CDCl3 3,4-dimethoxybenzoyl chloride 
Parameter ppm Hz
D(A) 7.841 D(B) 7.534 D(C) 6.942 J(A,B) 2.1 J(A,C) 8.6 J(B,C) 0. D(D) *1 3.966 D(E) *1 3.955
Hz ppm Int.2357.73 7.859 81 2355.65 7.852 84 2349.14 7.830 86 2347.07 7.824 90 2261.25 7.537 173 2259.18 7.531 166 2086.83 6.956 170 2078.28 6.928 160 1189.81 3.966 1000 1186.53 3.955 1000
in CDCl3
KBr disc
nujol mull
