3,5-DIMETHOXYBENZOYL CHLORIDE(17213-57-9) MS
Product Name3,5-DIMETHOXYBENZOYL CHLORIDE
CAS17213-57-9
Molecular FormulaC9H9ClO3
Molecular Weight200.62
InChIInChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3
InChIKey FTHPLWDYWAKYCY-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC(OC)=CC(OC)=C1
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MassMS-NW-8682 3,5-dimethoxybenzoyl chloride C9H9ClO3 (Mass of molecular ion: 200)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.9 18.0 1.3 28.0 2.0 36.0 2.1 38.0 2.2 39.0 1.8 50.0 2.4 51.0 6.2 52.0 1.1 53.0 2.0 59.0 1.5 61.0 1.1 62.0 3.9 63.0 10.4 64.0 2.9 65.0 1.6 66.0 2.4 69.0 5.9 74.0 1.5 75.0 1.4 77.0 12.5 78.0 1.6 79.0 6.2 82.5 2.2 91.0 1.4 92.0 4.0 93.0 1.1 94.0 3.0 106.0 2.2 107.0 11.5 108.0 1.2 109.0 2.3 122.0 27.2 123.0 2.3 129.0 1.0 137.0 28.6 138.0 3.0 165.0 100.0 166.0 10.1 167.0 1.0 182.0 1.0 200.0 26.2 201.0 2.7 202.0 8.7
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C9 H9 Cl O3 0.047 g : 0.5 ml DMSO-d6 3,5-dimethoxybenzoyl chloride 
Assign. Shift(ppm)
A 7.087 B 6.750 C 3.803 J(A,B)=2.4HZ
Hz ppm Int.635.94 7.101 204 633.56 7.075 223 606.56 6.773 59 604.13 6.746 87 601.81 6.720 41 340.63 3.804 1000
in DMSO-d6
KBr disc
liquid film
nujol mull
