TRANS-1,2-DIBENZOYLETHYLENE(959-28-4) MS
Product NameTRANS-1,2-DIBENZOYLETHYLENE
CAS959-28-4
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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MassMS-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
KBr disc
nujol mull
