5-Chloro-1,3-dimethoxybenzene(7051-16-3) MS
Product Name5-Chloro-1,3-dimethoxybenzene
CAS7051-16-3
Molecular FormulaC8H9ClO2
Molecular Weight172.61
InChIInChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKey WQHNWJBSROXROL-UHFFFAOYSA-N
SmilesC1(Cl)=CC(OC)=CC(OC)=C1
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MassMS-IW-3609 1-chloro-3,5-dimethoxybenzene C8H9ClO2 (Mass of molecular ion: 172)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.0 28.0 1.3 37.0 1.3 38.0 2.9 39.0 2.9 50.0 3.9 51.0 8.3 52.0 1.1 53.0 1.8 59.0 1.0 61.0 2.5 62.0 5.8 63.0 17.4 64.0 2.8 65.0 9.8 66.0 2.7 69.0 5.0 73.0 3.0 74.0 2.6 75.0 4.3 77.0 15.5 78.0 2.1 79.0 13.7 86.0 3.7 87.0 1.1 88.0 1.0 91.0 1.9 92.0 1.6 93.0 1.0 94.0 2.1 98.0 3.4 99.0 10.8 100.0 1.9 101.0 3.9 107.0 7.5 108.0 11.4 109.0 9.8 110.0 1.0 111.0 3.0 112.0 28.3 113.0 6.2 114.0 13.2 115.0 2.0 116.0 1.4 122.0 2.5 126.0 6.0 127.0 3.9 128.0 4.1 129.0 15.1 130.0 1.6 131.0 4.7 137.0 1.0 141.0 3.9 142.0 16.1 143.0 36.3 144.0 7.9 145.0 11.5 146.0 1.3 171.0 6.1 172.0 100.0 173.0 11.0 174.0 32.8 175.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 Cl O2 0.039 g : 0.5 ml CDCl3 1-chloro-3,5-dimethoxybenzene 
Assign. Shift(ppm)
A 6.507 B 6.337 C 3.762
Hz ppm Int.2601.93 6.511 263 2599.73 6.506 280 2535.03 6.344 71 2532.71 6.338 126 2530.52 6.332 66 1503.66 3.763 1000
in CDCl3
KBr disc
nujol mull
