4-Phenylbutyrophenone(13211-01-3) 1H NMR
Product Name4-Phenylbutyrophenone
CAS13211-01-3
Molecular FormulaC16H16O
Molecular Weight224.3
InChIInChI=1S/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3
InChIKey WOFNMZNJGZJHJO-UHFFFAOYSA-N
SmilesC(C1=CC=C(C2=CC=CC=C2)C=C1)(=O)CCC
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MassMS-KW-0229 4'-phenylbutyrophenone C16H16O (Mass of molecular ion: 224)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.3 39.0 1.0 41.0 1.2 43.0 1.5 51.0 2.0 63.0 2.1 75.0 1.5 75.5 1.2 76.0 7.2 76.5 2.4 77.0 2.6 89.0 1.1 90.5 2.4 91.0 1.3 98.0 2.7 101.0 1.2 102.0 1.3 126.0 1.7 127.0 3.5 128.0 1.2 150.0 1.7 151.0 7.3 152.0 30.3 153.0 24.0 154.0 3.6 165.0 1.8 181.0 100.0 182.0 14.4 183.0 1.2 189.0 2.1 191.0 7.6 192.0 1.3 196.0 6.5 197.0 1.0 205.0 1.9 206.0 7.6 207.0 1.6 224.0 18.7 225.0 3.4
400 MHz in CDCl3
in CDCl3
KBr disk
Nujol
