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Back ChemicalBook Home>CAS DataBase List>262-12-4More Spectrum> DIBENZO-P-DIOXIN(262-12-4) MS

262-12-4

DIBENZO-P-DIOXIN(262-12-4) MS

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

  • DIBENZO-P-DIOXIN(262-12-4) MS
    Mass

    MS-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

  • DIBENZO-P-DIOXIN(262-12-4) MS

    1H NMR 300 MHz
    C12 H8 O2 in CDCl3
    dibenzodioxin
    ChemicalStructure
        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

  • DIBENZO-P-DIOXIN(262-12-4) MS

nujol mull

  • DIBENZO-P-DIOXIN(262-12-4) MS

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  • DIBENZO-P-DIOXIN(262-12-4) MS

DIBENZO-P-DIOXIN(262-12-4) MS Atlas of Related Products

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