1,4-Benzodioxin(255-37-8) 1H NMR
Product Name1,4-Benzodioxin
CAS255-37-8
Molecular FormulaC8H6O2
Molecular Weight134.13
InChIInChI=1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
InChIKey HPARLNRMYDSBNO-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2OC=C1
parameter in acetone
parameter in CDCl3
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1H NMR 300 MHz C8 H6 O2 8 mol% in acetone 1,4-benzodioxin 
Parameter ppm Hz
D(A) 6.852 D(B) 6.638 J(A,A') 8.07 J(A,B) 8.07 J(A,B') 1.56 J(A',B) 1.56 J(A',B') 8.07 J(B,B') 0.37 D(C) 6.045 DEB,K.K. ET AL. ORG.MAGN.RESON. 2, 431 (1970)
Hz ppm Int.2065.42 6.885 14 2064.66 6.882 16 2060.68 6.869 205 2057.00 6.857 220 2054.73 6.849 200 2051.04 6.837 273 2046.79 6.823 31 2000.21 6.667 31 1995.96 6.653 273 1992.28 6.641 201 1990.00 6.633 220 1986.32 6.621 205 1982.36 6.608 16 1981.58 6.605 14 1813.50 6.045 1000
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1H NMR 300 MHz C8 H6 O2 8 mol% in CCl4 1,4-benzodioxin Parameter ppm Hz
D(A) 6.710 D(B) 6.515 J(A,A') 7.88 J(A,B) 7.88 J(A,B') 1.53 J(A',B) 1.53 J(A',B') 7.88 J(B,B') 0.35 D(C) 5.768 DEB,K.K. ET AL. ORG.MAGN.RESON. 2, 431 (1970)
Hz ppm Int.2022.59 6.742 14 2021.86 6.740 16 2017.98 6.727 202 2014.39 6.715 219 2012.17 6.707 200 2008.57 6.695 274 2004.39 6.681 33 1963.12 6.544 33 1958.94 6.530 274 1955.34 6.518 200 1953.11 6.510 219 1949.52 6.498 202 1945.65 6.485 16 1944.92 6.483 14 1730.40 5.768 1000