959-28-4

TRANS-1,2-DIBENZOYLETHYLENE(959-28-4) ¹H NMR

Product NameTRANS-1,2-DIBENZOYLETHYLENE

CAS 959-28-4

Molecular FormulaC16H12O2

Molecular Weight236.27

InChIInChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+

InChIKey WYCXGQSQHAXLPK-VAWYXSNFSA-N

SmilesC(C1=CC=CC=C1)(=O)/C=C/C(C1=CC=CC=C1)=O

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TRANS-1,2-DIBENZOYLETHYLENE(959-28-4) <sup>1</sup>H NMR
Mass

MS-IW-4897          
trans-1,4-diphenyl-2-butene-1,4-dione
C16H12O2            (Mass of molecular ion:    236)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      50.0       2.4
      51.0      10.0
      76.0       1.6
      77.0      39.9
      78.0       3.1
     103.0       2.6
     105.0     100.0
     106.0       8.6
     131.0       6.0
     159.0       2.7
     207.0       3.1
     208.0       5.8
     209.0       1.0
     236.0      37.3
     237.0       6.7
     238.0       1.1