4-Bromo-1,2-(methylenedioxy)benzene(2635-13-4) 1H NMR
Product Name4-Bromo-1,2-(methylenedioxy)benzene
CAS2635-13-4
Molecular FormulaC7H5BrO2
Molecular Weight201.02
InChIInChI=1S/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
InChIKey FBOYMIDCHINJKC-UHFFFAOYSA-N
SmilesO1C2=CC=C(Br)C=C2OC1
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MassMS-NW-8541 4-bromo-1,2-methylenedioxybenzene C7H5BrO2 (Mass of molecular ion: 200)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 1.2 28.0 1.9 29.0 4.6 32.0 1.1 37.0 7.4 38.0 6.0 39.0 7.5 42.0 1.0 46.0 1.0 49.0 3.5 50.0 8.8 51.0 8.6 53.0 8.0 60.0 1.7 61.0 11.9 62.0 26.9 63.0 83.4 64.0 7.0 65.0 25.5 66.0 2.2 72.0 1.3 73.0 1.0 74.0 1.2 79.0 10.2 80.0 1.0 90.0 1.3 91.0 4.0 92.0 2.2 93.0 1.8 99.5 2.2 100.0 4.7 100.5 2.5 101.0 4.7 117.0 1.4 119.0 1.3 120.0 1.3 121.0 4.3 141.0 1.1 142.0 4.8 143.0 4.6 144.0 5.5 145.0 3.6 146.0 1.0 170.0 1.1 172.0 1.2 199.0 70.2 200.0 100.0 201.0 76.1 202.0 97.1 203.0 7.6
parameter in CDCl3
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1H NMR 300 MHz C7 H5 Br O2 0.05 ml : 0.5 ml CDCl3 4-bromo-1,2-methylenedioxybenzene 
Parameter ppm Hz
D(A) 6.917 D(B) 6.905 D(C) 6.643 J(A,B) 1.94 J(A,C) 0.40 J(B,C) 8.23 D(D) 5.920
Hz ppm Int.2075.59 6.919 512 2074.08 6.914 194 2068.44 6.895 178 2066.52 6.888 111 1997.05 6.657 173 1995.49 6.652 77 1989.89 6.633 67 1988.32 6.628 139 1776.00 5.920 1000
in CDCl3
liquid film
4880 A,200 M,liquid
