1,2-Dibenzoylethane(495-71-6) IR1
Product Name1,2-Dibenzoylethane
CAS495-71-6
Molecular FormulaC16H14O2
Molecular Weight238.28
InChIInChI=1S/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey OSWWFLDIIGGSJV-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(=O)CCC(C1=CC=CC=C1)=O
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MassMS-IW-0440 1,4-diphenyl-1,4-butanedione C16H14O2 (Mass of molecular ion: 238)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
51.0 4.0 55.0 1.7 77.0 23.3 78.0 1.7 105.0 100.0 106.0 7.9 115.0 1.6 133.0 13.4 134.0 1.3 220.0 6.4 221.0 1.3 238.0 26.6 239.0 4.9
KBr disc
nujol mull
