DIBENZO-P-DIOXIN(262-12-4) IR2
Product NameDIBENZO-P-DIOXIN
CAS262-12-4
Molecular FormulaC12H8O2
Molecular Weight184.19
InChIInChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKey NFBOHOGPQUYFRF-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2OC2=CC=CC=C12
-
MassMS-IW-1130 dibenzodioxin C12H8O2 (Mass of molecular ion: 184)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
50.0 1.5 51.0 2.5 52.0 1.5 63.0 2.0 64.0 2.1 75.0 1.0 76.0 1.4 77.0 1.0 92.0 10.1 92.5 1.2 102.0 3.8 127.0 3.9 128.0 13.3 129.0 1.5 155.0 3.9 156.0 2.7 184.0 100.0 185.0 13.2 186.0 1.2
parameter in CDCl3
-
1H NMR 300 MHz C12 H8 O2 in CDCl3 dibenzodioxin 
Parameter ppm Hz
D(A) 6.87 D(B) 6.82 J(A,A') 0.5 J(A,B) 8.2 J(A,B') 1.5 J(A',B) 1.5 J(A',B') 8.2 J(B,B') 6.2 SHARPLESS,N.E. ET AL. ORG.MAGN.RESON. 6, 115 (1974)
Hz ppm Int.2069.91 6.900 41 2068.73 6.896 60 2066.82 6.889 288 2063.43 6.878 430 2061.57 6.872 337 2059.98 6.867 448 2057.50 6.858 925 2057.04 6.857 1000 2054.88 6.850 408 2052.12 6.840 408 2049.96 6.833 999 2049.50 6.832 923 2047.02 6.823 448 2045.44 6.818 337 2043.57 6.812 430 2040.18 6.801 288 2038.27 6.794 59 2037.09 6.790 41
KBr disc
nujol mull
1)
